(Q104995345)

English

6-[(8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₁H₆₂O₁₅

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instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

794.4088712840004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₂O₁₅

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canonical SMILES

O=C(O)COC(OC1C(O)C(OC(C(=O)O)C1O)OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)O)CCC54C)C2(C)C)C(O)C(=O)O

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Identifiers

InChI

InChI=1S/C41H62O15/c1-36(2)14-16-41(35(51)52)17-15-39(6)20(21(41)18-36)8-9-23-38(5)12-11-24(37(3,4)22(38)10-13-40(23,39)7)54-34-27(45)29(26(44)30(56-34)32(49)50)55-33(28(46)31(47)48)53-19-25(42)43/h8,21-24,26-30,33-34,44-46H,9-19H2,1-7H3,(H,42,43)(H,47,48)(H,49,50)(H,51,52)

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InChIKey

FHMLSFRFOXEUGU-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

FHMLSFRFOXEUGU-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0031025

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FHMLSFRFOXEUGU-UHFFFAOYSA-N

(Q104995345)

6-[(8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid

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