(Q105003344)

English

CID 16170023

group of stereoisomers with the chemical formula C₅₅H₃₈O₃₀

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Statements

group of stereoisomers

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8C-substituted flavan

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8C-substituted flavan

1,178.144789816 dalton

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based on heuristic

inferred from InChI

chemical formula

C₅₅H₃₈O₃₀

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canonical SMILES

O=C1OCC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3C=4C(O)=C(O)C(O)=CC14)C5OC(=O)C=6C=C(O)C(O)=C(O)C6C7=C(O)C(=O)C89OC%10=CC(O)=C%11C(OC(C%12=CC=C(O)C(O)=C%12)C(O)C%11)=C%10C9C5OC(=O)C78

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Identifiers

InChI=1S/C55H38O30/c56-18-2-1-12(3-20(18)58)44-26(64)6-14-19(57)10-27-32(45(14)81-44)34-47-48(84-53(77)17-9-25(63)39(68)42(71)31(17)33-35(54(78)83-47)55(34,85-27)49(73)43(33)72)46-28(80-50(74)13-4-21(59)36(65)22(60)5-13)11-79-51(75)15-7-23(61)37(66)40(69)29(15)30-16(52(76)82-46)8-24(62)38(67)41(30)70/h1-5,7-10,26,28,34-35,44,46-48,56-72H,6,11H2

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FWLIWQBWHQWYFE-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

FWLIWQBWHQWYFE-UHFFFAOYSA-N

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