(Q105324009)

English

[(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

716.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₂O₁₅

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canonical SMILES

O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C6=CC=C(O)C(O)=C6)C4O)C7(O)C=CCCC7=O

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isomeric SMILES

O=C1CCC=C[C@@]1(O)C(=O)O[C@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1

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found in taxon

Salix sieboldiana

1 reference

stated in

Acylated flavanols and procyanidins from Salix sieboldiana

Identifiers

InChI

InChI=1S/C37H32O15/c38-17-11-24(44)29-26(12-17)50-34(16-5-7-20(40)23(43)10-16)32(47)31(29)30-25(45)14-21(41)18-13-27(51-36(48)37(49)8-2-1-3-28(37)46)33(52-35(18)30)15-4-6-19(39)22(42)9-15/h2,4-12,14,27,31-34,38-45,47,49H,1,3,13H2/t27-,31 ,32 ,33 ,34 ,37-/m0/s1

0 references

InChIKey

XANGRKAWQPUDCY-MWULZZCNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XANGRKAWQPUDCY-MWULZZCNSA-N

(Q105324009)

[(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

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