(Q111729008)

English

KVHFYBWKXJPMMM-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₈H₈₂O₁₉

In more languages

Statements

group of stereoisomers

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chemical compound

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962.545030404 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₈H₈₂O₁₉

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canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CC4C(CC(O)C5C(CC(C)C45C)C(OC6OC(CO)C(O)C(O)C6O)(C)CCC=C(C)C)C7(C)CCC(O)C(C)(C)C37)CO)C(O)C(O)C1O

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1 reference

Metabolite profiling of Panax notoginseng using UPLC-ESI-MS

Identifiers

InChI=1S/C48H82O19/c1-20(2)10-9-12-47(7,67-43-39(61)36(58)33(55)28(18-50)64-43)24-14-21(3)48(8)23-16-26(41-45(4,5)30(53)11-13-46(41,6)22(23)15-25(52)31(24)48)62-44-40(37(59)34(56)29(19-51)65-44)66-42-38(60)35(57)32(54)27(17-49)63-42/h10,21-44,49-61H,9,11-19H2,1-8H3

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KVHFYBWKXJPMMM-UHFFFAOYSA-N

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1 reference

15 September 2022

UniChem compound ID

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