(Q105381687)

English

CID 16170020

group of stereoisomers with the chemical formula C₅₆H₄₀O₃₁

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Statements

group of stereoisomers

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6C-substituted flavan

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6C-substituted flavan

1,208.1553545 dalton

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based on heuristic

inferred from InChI

chemical formula

C₅₆H₄₀O₃₁

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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)=C3C4=C(O)C(O)=C(O)C=C14)C5OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C(O)C8=C7C(=O)OC5C8C9=C(O)C=C%10OC(C%11=CC=C(O)C(O)=C%11)C(O)CC%10=C9O

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Identifiers

InChI=1S/C56H40O31/c57-18-2-1-12(3-19(18)58)48-26(65)6-14-27(83-48)10-20(59)32(37(14)66)35-34-36-33(45(74)47(76)46(34)75)31-17(9-25(64)41(70)44(31)73)55(80)87-51(50(35)86-56(36)81)49-28(84-52(77)13-4-21(60)38(67)22(61)5-13)11-82-53(78)15-7-23(62)39(68)42(71)29(15)30-16(54(79)85-49)8-24(63)40(69)43(30)72/h1-5,7-10,26,28,35,48-51,57-76H,6,11H2

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ZQRDOSBLXDFSAI-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

ZQRDOSBLXDFSAI-UHFFFAOYSA-N

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