(Q105170866)

English

CID 16169988

group of stereoisomers with the chemical formula C₅₆H₄₀O₃₁

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Statements

group of stereoisomers

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8C-substituted flavan

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8C-substituted flavan

1,208.1553545 dalton

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based on heuristic

inferred from SMILES

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)OC5C8C=9C(O)=CC(O)=C%10C9OC(C%11=CC=C(O)C(O)=C%11)C(O)C%10

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Melaleuca squarrosa

1 reference

C-Glucosidic ellagitannin oligomers from Melaleuca squarrosa Donn ex Sm., Myrtaceae

Identifiers

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

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MRRHAYNXHYEUOD-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

MRRHAYNXHYEUOD-UHFFFAOYSA-N

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