(Q105228241)

English

Oleragenoside

group of stereoisomers with the chemical formula C₄₂H₆₄O₁₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

824.419435968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₄O₁₆

0 references

canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)CC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC13

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Identifiers

InChI

InChI=1S/C42H64O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,18,20-32,34-35,43,45-51H,8-17H2,1-6H3,(H,52,53)

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InChIKey

QUKCKUMUBOPETR-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QUKCKUMUBOPETR-UHFFFAOYSA-N

ChEBI ID

191642

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C42H64O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,18,20-32,34-35,43,45-51H,8-17H2,1-6H3,(H,52,53)

1 reference

Human Metabolome Database ID

HMDB0036943

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QUKCKUMUBOPETR-UHFFFAOYSA-N

(Q105228241)

Oleragenoside

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Identifiers

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