(Q104888532)

English

(2S)-2alpha-(3,4-Dihydroxyphenyl)-4-[(E)-3-[(R)-1-(methoxycarbonyl)-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-7-hydroxy-2,3-dihydrobenzofuran-3beta-carboxylic acid ethyl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Ethyl 2-(3,4-dihydroxyphenyl)-4-[3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

580.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₂₈O₁₂

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canonical SMILES

O=C(OC(C(=O)OC)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C=3OC(C4=CC=C(O)C(O)=C4)C(C(=O)OCC)C23

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isomeric SMILES

CCOC(=O)[C@H]1c2c(/C=C/C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(=O)OC)ccc(O)c2O[C@@H]1c1ccc(O)c(O)c1

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found in taxon

Lindelofia stylosa

1 reference

stated in

Phenyl polypropanoids from Lindelofia stylosa.

Identifiers

InChI

InChI=1S/C30H28O12/c1-3-40-30(38)26-25-16(5-10-20(33)28(25)42-27(26)17-6-9-19(32)22(35)14-17)7-11-24(36)41-23(29(37)39-2)13-15-4-8-18(31)21(34)12-15/h4-12,14,23,26-27,31-35H,3,13H2,1-2H3/b11-7+/t23-,26+,27-/m1/s1

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InChIKey

MONRRGJOOZMWNB-VDOWOWKESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104888532)

(2S)-2alpha-(3,4-Dihydroxyphenyl)-4-[(E)-3-[(R)-1-(methoxycarbonyl)-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-7-hydroxy-2,3-dihydrobenzofuran-3beta-carboxylic acid ethyl ester

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Identifiers

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