(Q105345672)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 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

566.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Dimethyl Lithospermate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₆O₁₂

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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)OC)C23

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isomeric SMILES

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

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found in taxon

Salvia miltiorrhiza

1 reference

stated in

Isolation of inhibitors of adenylate cyclase from dan-shen, the root of Salvia miltiorrhiza

Identifiers

InChI

InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25-,26+/m1/s1

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InChIKey

YAXTXMBBIHBGPZ-QQJQYKEBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAXTXMBBIHBGPZ-QQJQYKEBSA-N

(Q105345672)

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

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Identifiers

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