(Q105205883)

English

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkyl caffeate ester

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mass

500.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₄O₁₁

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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(O)=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1

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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/C25H24O11/c26-16-6-1-14(2-7-16)4-9-22(31)36-23-19(29)12-25(34,24(32)33)13-20(23)35-21(30)10-5-15-3-8-17(27)18(28)11-15/h1-11,19-20,23,26-29,34H,12-13H2,(H,32,33)/b9-4+,10-5+/t19-,20-,23+,25-/m1/s1

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InChIKey

PCMWSBGTYOCQCP-UMHPNHICSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PCMWSBGTYOCQCP-UMHPNHICSA-N

1 reference

(Q105205883)

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

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Identifiers

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