(Q105274339)

English

(2R,3R)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(+)-Lithospermic acid

1 reference

based on heuristic

inferred from SMILES

mass

538.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

10-epi-Lithospermic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid

1 reference

based on heuristic

inferred from InChI

(2R,3R)-4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₂O₁₂

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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(C4=CC=C(O)C(O)=C4)C(C(=O)O)C23

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isomeric SMILES

O=C(/C=C/c1ccc(O)c2c1[C@@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O

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found in taxon

Salvia cavaleriei

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stated in

Polyphenolics of Salvia--a review

Salvia chinensis

1 reference

stated in

Polyphenolics of Salvia--a review

Salvia sonchifolia

1 reference

stated in

Polyphenolics of Salvia--a review

Heliotropium sarmentosum

1 reference

stated in

Anti-lipid-peroxidative principles from Tournefortia sarmentosa

Lithospermum erythrorhizon

1 reference

stated in

Accumulation of p-O-β-D-glucosylbenzoic acid and its relation to shikonin biosynthesis in Lithospermum cell cultures

Melissa officinalis

1 reference

stated in

Phenolic profiles of cultivated, in vitro cultured and commercial samples of Melissa officinalis L. infusions

Identifiers

InChI

InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23-,24+/m1/s1

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InChIKey

UJZQBMQZMKFSRV-PHQFMFTGSA-N

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CAS Registry Number

1607436-76-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UJZQBMQZMKFSRV-PHQFMFTGSA-N

1 reference

1 reference

matched by identifier from

InChIKey

UJZQBMQZMKFSRV-PHQFMFTGSA-N

(Q105274339)

(2R,3R)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid

Statements

Identifiers

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