(Q104919482)

English

(2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)prop-2-enoyl]oxypropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-(3,4-Dihydroxyphenyl)-2-[3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)prop-2-enoyloxy]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

492.10564684 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

isosalvianolic acid C

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₀O₁₀

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canonical SMILES

O=C(OC(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C=3OC=4C=C(O)C(O)=CC4C=CC23

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isomeric SMILES

O=C(/C=C/c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

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found in taxon

Heliotropium sarmentosum

1 reference

stated in

Anti-lipid-peroxidative principles from Tournefortia sarmentosa

Identifiers

InChI

InChI=1S/C26H20O10/c27-17-6-1-13(9-19(17)29)10-23(26(33)34)35-24(32)8-4-14-3-7-18(28)25-16(14)5-2-15-11-20(30)21(31)12-22(15)36-25/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m0/s1

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InChIKey

AVGRZVZQTALJJF-WAWJGKILSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVGRZVZQTALJJF-WAWJGKILSA-N

(Q104919482)

(2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)prop-2-enoyl]oxypropanoic acid

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