(Q105246915)

English

(1R,2S,3S,4R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

516.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,3R,4R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₄O₁₂

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canonical SMILES

O=C(OC1C(O)CCC(O)(C(=O)O)C1OC(=O)C=CC2=CC=C(O)C(O)=C2)C=CC3=CC=C(O)C(O)=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@](O)(C(=O)O)CC[C@H]1O

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found in taxon

Ipomoea pes-caprae

1 reference

stated in

Collagenase inhibitory quinic acid esters from Ipomoea pes-caprae

Identifiers

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(11-18(15)29)3-7-20(31)36-22-17(28)9-10-25(35,24(33)34)23(22)37-21(32)8-4-14-2-6-16(27)19(30)12-14/h1-8,11-12,17,22-23,26-30,35H,9-10H2,(H,33,34)/b7-3+,8-4+/t17-,22+,23+,25-/m1/s1

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InChIKey

RXBQOQAGHWYRDV-QQMLJDQMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RXBQOQAGHWYRDV-QQMLJDQMSA-N

(Q105246915)

(1R,2S,3S,4R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid

Statements

Identifiers

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