(Q110189834)

English

[(1S,17R,18S,20R,21R)-4,6,7,11,12,21-hexahydroxy-20-(hydroxymethyl)-3,15-dioxo-2,16,19,22-tetraoxapentacyclo[15.3.1.17,10.04,8.09,14]docosa-9,11,13-trien-18-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₂₆H₂₄O₁₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

624.096263928 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₄O₁₈

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canonical SMILES

O=C(OC1OC(CO)C2OC(=O)C3(O)CC(O)C4(O)OC=5C(O)=C(O)C=C(C(=O)OC1C2O)C5C43)C6=CC(O)=C(O)C(O)=C6

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isomeric SMILES

O=C(O[C@@H]1O[C@H](CO)[C@H]2OC(=O)C3(O)CC(O)C4(O)Oc5c(O)c(O)cc(c5C34)C(=O)O[C@@H]1[C@@H]2O)c1cc(O)c(O)c(O)c1

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found in taxon

Pelargonium reniforme

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stated in

Fascinating metabolic pools of Pelargonium sidoides and Pelargonium reniforme, traditional and phytomedicinal sources of the herbal medicine Umckaloabo

Identifiers

InChI

InChI=1S/C26H24O18/c27-5-11-17-16(34)19(23(40-11)43-21(35)6-1-8(28)14(32)9(29)2-6)41-22(36)7-3-10(30)15(33)18-13(7)20-25(38,24(37)42-17)4-12(31)26(20,39)44-18/h1-3,11-12,16-17,19-20,23,27-34,38-39H,4-5H2/t11-,12?,16-,17-,19-,20?,23+,25?,26?/m1/s1

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InChIKey

OPDCHSHIPIOYPU-OEHAGQMBSA-N

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1 reference

17 September 2022

inferred from InChIKey

KNApSAcK ID

C00053642

1 reference

based on heuristic

inferred from InChIKey

(Q110189834)

[(1S,17R,18S,20R,21R)-4,6,7,11,12,21-hexahydroxy-20-(hydroxymethyl)-3,15-dioxo-2,16,19,22-tetraoxapentacyclo[15.3.1.17,10.04,8.09,14]docosa-9,11,13-trien-18-yl] 3,4,5-trihydroxybenzoate

Statements

Identifiers

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