(Q104665496)

English

[14-Hydroxy-3,9-dimethyl-6-oxo-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,8,10-trioxatetracyclo[9.3.1.01,9.02,7]pentadec-12-en-12-yl]methyl acetate

group of stereoisomers with the chemical formula C₂₃H₃₂O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

516.1842910839997 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₁₃

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canonical SMILES

O=C(OCC1=C(OC2OC(CO)C(O)C(O)C2O)C(O)C34CC1OC4(OC5C(=O)OCC(C)C53)C)C

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Identifiers

InChI

InChI=1S/C23H32O13/c1-8-6-32-20(30)18-13(8)23-4-11(35-22(23,3)36-18)10(7-31-9(2)25)17(19(23)29)34-21-16(28)15(27)14(26)12(5-24)33-21/h8,11-16,18-19,21,24,26-29H,4-7H2,1-3H3

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InChIKey

PDSOUSYYTLHECG-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PDSOUSYYTLHECG-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0039813

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PDSOUSYYTLHECG-UHFFFAOYSA-N

(Q104665496)

[14-Hydroxy-3,9-dimethyl-6-oxo-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,8,10-trioxatetracyclo[9.3.1.01,9.02,7]pentadec-12-en-12-yl]methyl acetate

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