(Q110184210)

English

YLMBQJRKOKVUCP-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₅H₉₂O₂₃

In more languages

Statements

group of stereoisomers

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chemical compound

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1,120.602939204 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₅H₉₂O₂₃

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canonical SMILES

O=C(OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C(OC6OC(COC7OC(CO)C(O)C7O)C(O)C(O)C6O)(C)CCC=C(C)C)C2(C)C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C1O)C

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1 reference

Profiling and multivariate statistical analysis of Panax ginseng based on ultra-high-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry.

Identifiers

InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)38(62)31(74-49)23-71-47-43(67)37(61)29(21-57)72-47)26-12-17-54(8)35(26)27(59)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)39(63)30(75-50)22-70-25(3)58)77-48-44(68)40(64)36(60)28(20-56)73-48/h11,26-50,56-57,59-69H,10,12-23H2,1-9H3

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YLMBQJRKOKVUCP-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

YLMBQJRKOKVUCP-UHFFFAOYSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

YLMBQJRKOKVUCP-UHFFFAOYSA-N

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