(Q105205187)

English

[6-[2-[2-[3-(3-Acetyloxy-5,5-dimethylcyclopenten-1-yl)-4-methoxyphenyl]-5,6-dihydroxy-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

group of stereoisomers with the chemical formula C₄₅H₅₆O₂₃

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instance of

group of stereoisomers

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subclass of

3'C-substituted flavone

1 reference

inferred from

3'C-substituted flavone

mass

964.3212380520007 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₅₆O₂₃

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canonical SMILES

O=C(OCC1OC(OC2C(O)C(OC(OC=3C=C4OC(=CC(=O)C4=C(O)C3O)C=5C=CC(OC)=C(C5)C6=CC(OC(=O)C)CC6(C)C)C2OC7OC(C)C(O)C(O)C7O)CO)C(O)C(O)C1O)C

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Identifiers

InChI

InChI=1S/C45H56O23/c1-16-31(50)36(55)38(57)42(61-16)68-41-40(67-43-39(58)37(56)33(52)29(66-43)15-60-17(2)47)34(53)28(14-46)65-44(41)64-27-12-26-30(35(54)32(27)51)23(49)11-25(63-26)19-7-8-24(59-6)21(9-19)22-10-20(62-18(3)48)13-45(22,4)5/h7-12,16,20,28-29,31,33-34,36-44,46,50-58H,13-15H2,1-6H3

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InChIKey

PBHBQGSNOJXIOU-UHFFFAOYSA-N

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PubChem CID

162982325

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PBHBQGSNOJXIOU-UHFFFAOYSA-N

(Q105205187)

[6-[2-[2-[3-(3-Acetyloxy-5,5-dimethylcyclopenten-1-yl)-4-methoxyphenyl]-5,6-dihydroxy-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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