(Q105247715)

English

2-[5-[(2R,4S,5R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxycarbonyl-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid

group of stereoisomers with the chemical formula C₂₇H₂₄O₁₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

652.091178548 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₄O₁₉

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canonical SMILES

O=C(O)C1=CC(O)=C(O)C(O)=C1OC2=CC(=CC(O)=C2O)C(=O)OC3C(O)OC(CO)C(O)C3OC(=O)C4=CC(O)=C(O)C(O)=C4

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isomeric SMILES

O=C(OC1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)C(CO)O[C@H]1O)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1

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found in taxon

Reaumuria vermiculata

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stated in

Cytotoxic ellagitannins from Reaumuria vermiculata.

Identifiers

InChI

InChI=1S/C27H24O19/c28-6-15-19(36)22(45-25(40)7-1-10(29)16(33)11(30)2-7)23(27(42)44-15)46-26(41)8-3-12(31)17(34)14(4-8)43-21-9(24(38)39)5-13(32)18(35)20(21)37/h1-5,15,19,22-23,27-37,42H,6H2,(H,38,39)/t15?,19-,22+,23?,27-/m1/s1

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InChIKey

RYMZYVZCMNCUDN-KWCBYRDUSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105247715)

2-[5-[(2R,4S,5R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxycarbonyl-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid

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Identifiers

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