(Q104986057)

English

Guavin A

group of stereoisomers with the chemical formula C₅₆H₄₀O₃₂

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Statements

group of stereoisomers

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8C-substituted flavan

1 reference

8C-substituted flavan

1,224.1502691199998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₆H₄₀O₃₂

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canonical SMILES

O=C(OC1COC(=O)C=2C=C(O)C(O)=C(O)C2C3=C(O)C(O)=C(O)C=C3C(=O)OC1C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C(C=8C(=O)OC4C(C=9C(O)=CC(O)=C%10C9OC(C%11=CC=C(O)C(O)=C%11)C(O)C%10)C8C(=O)C7(O)O)C65)C%12=CC(O)=C(O)C(O)=C%12

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Identifiers

InChI=1S/C56H40O32/c57-18-2-1-12(3-20(18)59)43-27(66)6-14-19(58)10-21(60)32(44(14)84-43)33-34-35-36-31-17(9-26(65)40(70)46(31)88-56(36,81)55(79,80)49(34)73)53(77)87-48(47(33)86-54(35)78)45-28(83-50(74)13-4-22(61)37(67)23(62)5-13)11-82-51(75)15-7-24(63)38(68)41(71)29(15)30-16(52(76)85-45)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,33,36,43,45,47-48,57-72,79-81H,6,11H2

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DOMGXWDOTMOBEH-UHFFFAOYSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

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15 September 2022

matched by identifier from

DOMGXWDOTMOBEH-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID701319134

1 reference

matched by identifier from

DOMGXWDOTMOBEH-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

DOMGXWDOTMOBEH-UHFFFAOYSA-N

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