(Q105146398)

English

2-[5-[[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid

group of stereoisomers with the chemical formula C₄₁H₃₀O₂₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

954.0974457 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₃₀O₂₇

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canonical SMILES

O=C(O)C1=CC(O)=C(O)C(O)=C1OC2=CC(=CC(O)=C2O)C(=O)OC3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)OC5COC(=O)C=6C=C(O)C(O)=C(O)C6C7=C(O)C(O)=C(O)C=C7C(=O)OC53

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found in taxon

Reaumuria vermiculata

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stated in

Cytotoxic ellagitannins from Reaumuria vermiculata.

Tamarix aphylla

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stated in

Tamarixellagic acid, an ellagitannin from the galls of Tamarix aphylla

Identifiers

InChI

InChI=1S/C41H30O27/c42-14-1-9(2-15(43)24(14)48)37(58)68-35-34(67-38(59)10-3-16(44)25(49)20(4-10)64-32-13(36(56)57)7-19(47)28(52)31(32)55)33-21(65-41(35)62)8-63-39(60)11-5-17(45)26(50)29(53)22(11)23-12(40(61)66-33)6-18(46)27(51)30(23)54/h1-7,21,33-35,41-55,62H,8H2,(H,56,57)

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InChIKey

KUXOHDAMNFFJLC-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105146398)

2-[5-[[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid

Statements

Identifiers

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