(Q105112834)

English

CID 16167198

group of stereoisomers with the chemical formula C₅₆H₃₈O₃₁

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Statements

group of stereoisomers

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6C-substituted flavan

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6C-substituted flavan

1,206.8845 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₆H₃₈O₃₁

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canonical SMILES

O=C1OCC2OC(=O)C3=CC(O)=C(O)C(O)=C3C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C6OC(=O)C7=C5C(O)=C(O)C(O)=C7C6C8=C(O)C=C9OC(C%10=CC=C(O)C(O)=C%10)C(O)CC9=C8O)C2OC(=O)C%11=CC(O)=C(O)C(O)=C%11C%12=C(O)C(O)=C(O)C=C1%12

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Identifiers

InChI=1S/C56H38O31/c57-15-2-1-10(3-16(15)58)48-21(63)4-11-22(83-48)8-17(59)27(35(11)64)32-31-34-30(44(73)47(76)45(31)74)29-33-28(42(71)46(75)43(29)72)26-14(7-20(62)38(67)41(26)70)53(78)84-23-9-82-52(77)12-5-18(60)36(65)39(68)24(12)25-13(6-19(61)37(66)40(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,21,23,32,48-51,57-76H,4,9H2

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IGVSILAHFPDUTO-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

IGVSILAHFPDUTO-UHFFFAOYSA-N

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