(Q104392263)

English

Chromosaponin I

group of stereoisomers with the chemical formula C₅₄H₈₄O₂₁

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

1,068.550509708 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₄H₈₄O₂₁

0 references

canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CC(OC7OC(=C(O)C(=O)C7)C)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C(O)C1O

0 references

found in taxon

Impatiens siculifer

1 reference

stated in

Triterpenoid saponins from Impatiens siculifer.

Pisum sativum

1 reference

stated in

A New Triterpenoid Saponin (Chromosaponin I) with a Reducing Power

Identifiers

InChI

InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)

0 references

InChIKey

ONAAMCDHQSWPDU-UHFFFAOYSA-N

0 references

3 references

26 December 2021

15 September 2022

matched by identifier from

InChIKey

ONAAMCDHQSWPDU-UHFFFAOYSA-N

ChEBI ID

230223

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)

1 reference

MassBank accession ID

MSBNK-RIKEN-PR308938

1 reference

InChIKey

ONAAMCDHQSWPDU-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

ONAAMCDHQSWPDU-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

HMDB0038721

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ONAAMCDHQSWPDU-UHFFFAOYSA-N

(Q104392263)

Chromosaponin I

Statements

Identifiers

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