(Q105149870)

English

(1,2,4,13,14,15,18,19,20,34,35-Undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₄₀H₃₀O₂₆

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Statements

instance of

group of stereoisomers

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1 reference

1 reference

926.6522 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₀O₂₆

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C(O)CC(O)(C(=O)OC2C4OC(=O)C8=CC(O)=C(O)C(O)=C8C=9C(O)=C(O)C(O)=CC19)C7C65

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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/C40H30O26/c41-12-1-8(2-13(42)22(12)47)33(53)65-37-31-30-28(64-38(57)39(58)6-18(46)40(59)32(39)21-11(36(56)63-31)5-16(45)25(50)29(21)66-40)17(61-37)7-60-34(54)9-3-14(43)23(48)26(51)19(9)20-10(35(55)62-30)4-15(44)24(49)27(20)52/h1-5,17-18,28,30-32,37,41-52,58-59H,6-7H2

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InChIKey

LCJOXNIMFDLZJH-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

KNApSAcK ID

C00041085

1 reference

based on heuristic

inferred from InChIKey

(Q105149870)

(1,2,4,13,14,15,18,19,20,34,35-Undecahydroxy-5,10,23,31-tetraoxo-6,9,24,27,30,39-hexaoxaoctacyclo[34.2.1.04,38.07,26.08,29.011,16.017,22.032,37]nonatriaconta-11,13,15,17,19,21,32,34,36-nonaen-28-yl) 3,4,5-trihydroxybenzoate

Statements

Identifiers

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