(Q105277063)

English

5,7-dihydroxy-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₃₇H₃₀O₁₆

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instance of

group of stereoisomers

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subclass of

(4->8)-proanthocyanidin

1 reference

inferred from

(4->8)-proanthocyanidin

8C-substituted flavan

1 reference

inferred from

8C-substituted flavan

4C-substituted flavan

1 reference

inferred from

4C-substituted flavan

mass

730.6259 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₀O₁₆

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canonical SMILES

O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC(O)=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C=6C=CC=C(O)C6)C4O)C7=CC(O)=C(O)C(O)=C7

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Identifiers

InChI

InChI=1S/C37H30O16/c38-16-3-1-2-13(4-16)35-33(49)30(28-20(41)9-17(39)10-26(28)51-35)29-21(42)12-19(40)18-11-27(52-37(50)15-7-24(45)32(48)25(46)8-15)34(53-36(18)29)14-5-22(43)31(47)23(44)6-14/h1-10,12,27,30,33-35,38-49H,11H2

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InChIKey

UPYFBIJDWOHCEE-UHFFFAOYSA-N

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PubChem CID

13991194

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UPYFBIJDWOHCEE-UHFFFAOYSA-N

(Q105277063)

5,7-dihydroxy-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

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