(Q105324279)

English

methyl 3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

group of stereoisomers with the chemical formula C₂₇H₃₄N₂O₉

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instance of

group of stereoisomers

0 references

subclass of

beta-carboline alkaloid

1 reference

inferred from

beta-carboline alkaloid

mass

530.226430668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄N₂O₉

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCC=4C=5C=CC=CC5NC43

0 references

found in taxon

Rhazya stricta

1 reference

stated in

The Isolation and Structure of Strictimine, a New Piperidine Alkaloid from the Roots of Rhazya stricta

Rauvolfia

1 reference

stated in

New alkaloids of the sarpagine group from Rauvolfia serpentina hairy root culture.

Catharanthus roseus

1 reference

stated in

Gomaline — A New Indolenine Alkaloid from Catharanthus roseus

Strychnos nux-vomica

1 reference

stated in

Glucoindole alkaloids from stem bark of Strychnos mellodora

Alstonia angustiloba

2 references

stated in

Indole alkaloids from the leaves of Philippine Alstonia scholaris

stated in

Alkaloids from the Leaves of Alstonia macrophylla

Alstonia scholaris

2 references

stated in

Angustilobine and andranginine type indole alkaloids and an uleine-secovallesamine bisindole alkaloid from Alstonia angustiloba.

stated in

Alkaloids from the Leaves of Alstonia macrophylla

Identifiers

InChI

InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3

0 references

InChIKey

XBAMJZTXGWPTRM-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBAMJZTXGWPTRM-UHFFFAOYSA-N

ChEBI ID

181769

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3

1 reference

MassBank accession ID

MSBNK-RIKEN-PR311110

1 reference

InChIKey

XBAMJZTXGWPTRM-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

HMDB0304492

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XBAMJZTXGWPTRM-UHFFFAOYSA-N

(Q105324279)

methyl 3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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Identifiers

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