(Q105138930)

English

[8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₃₇H₃₀O₁₆

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Statements

instance of

group of stereoisomers

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subclass of

(4->8)-proanthocyanidin

1 reference

inferred from

(4->8)-proanthocyanidin

8C-substituted flavan

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inferred from

8C-substituted flavan

4C-substituted flavan

1 reference

inferred from

4C-substituted flavan

mass

730.15338488 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(C6=CC=C(O)C(O)=C6)C4)C7=CC(O)=C(O)C(O)=C7

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found in taxon

Phyllanthus emblica

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stated in

Novel norsesquiterpenoids from the roots of Phyllanthus emblica

Identifiers

InChI

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

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InChIKey

KCTCMHLOHIMJEX-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KCTCMHLOHIMJEX-UHFFFAOYSA-N

(Q105138930)

[8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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