(Q105147993)

English

2-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₂H₆₈O₁₃

In more languages

default values for all languages

No label defined

No description defined

edit

Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

780.465992236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₈O₁₃

0 references

canonical SMILES

OCC1OC(OC2C(O)C(OC(C)C2O)OC3CCC4(C)C5C=CC67OCC8(CCC(C)(C)CC68)C(O)CC7(C)C5(C)CCC4C3(C)CO)C(O)C(O)C1O

0 references

found in taxon

Bupleurum yinchowense

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

Bupleurum angustissimum

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

Bupleurum smithii

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

Bupleurum bicaule

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

Bupleurum scorzonerifolium

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

Bupleurum chinense

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

Bupleurum marginatum

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

wild basil

1 reference

stated in

Saikosaponin homologues from Clinopodium spp. The structures of clinoposaponins XII-XX

Bupleurum marginatum var. stenophyllum

1 reference

stated in

Chemical evaluation of Bupleurum species collected in Yunnan, China.

Bupleurum smithii var. parvifolium

1 reference

stated in

Phenethyl alcohol glycosides and isopentenol glycoside from fruit of Bupleurum falcatum

Identifiers

InChI

InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3

0 references

InChIKey

KYWSCMDFVARMPN-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

MassBank accession ID

MSBNK-RIKEN-PR308692

1 reference

InChIKey

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

KYWSCMDFVARMPN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

Human Metabolome Database ID

HMDB0242746

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KYWSCMDFVARMPN-UHFFFAOYSA-N

Probes And Drugs ID

PD056216

0 references

(Q105147993)

2-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

Sitelinks

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Wikiquote(0 entries)

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Wikiversity(0 entries)

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Multilingual sites(0 entries)