(Q105184441)

English

1beta,3beta-Dihydroxy-4beta,5alpha-bis[[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

484.136946968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1beta,3beta-Dihydroxy-4beta,5alpha-bis[[(Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₄O₁₀

0 references

canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=CC2=CC=C(O)C=C2)C=CC3=CC=C(O)C=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1

0 references

found in taxon

Tribulus terrestris

1 reference

stated in

Chemical constituents from Tribulus terrestris and screening of their antioxidant activity

Identifiers

InChI

InChI=1S/C25H24O10/c26-17-7-1-15(2-8-17)5-11-21(29)34-20-14-25(33,24(31)32)13-19(28)23(20)35-22(30)12-6-16-3-9-18(27)10-4-16/h1-12,19-20,23,26-28,33H,13-14H2,(H,31,32)/b11-5+,12-6+/t19-,20-,23-,25+/m1/s1

0 references

InChIKey

NRDKGYVJVVIBTH-UZLNCMORSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NRDKGYVJVVIBTH-UZLNCMORSA-N

ChEBI ID

194119

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H24O10/c26-17-7-1-15(2-8-17)5-11-21(29)34-20-14-25(33,24(31)32)13-19(28)23(20)35-22(30)12-6-16-3-9-18(27)10-4-16/h1-12,19-20,23,26-28,33H,13-14H2,(H,31,32)/b11-5+,12-6+/t19-,20-,23-,25+/m1/s1

(Q105184441)

1beta,3beta-Dihydroxy-4beta,5alpha-bis[[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid

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