(Q105195419)

English

4-[2-hydroxy-9-[5-[(E)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₇H₆₆O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

622.4808544519999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₆O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCC2OC(CC2)C(O)CCC(O)C(O)CCC=CCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC/C=C/CCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-15-13-14-17-20-31(38)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12+

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InChIKey

OOKJEMBYFZCLNC-FOWTUZBSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

OOKJEMBYFZCLNC-FOWTUZBSSA-N

1 reference

Human Metabolome Database ID

HMDB0032104

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OOKJEMBYFZCLNC-FOWTUZBSSA-N

(Q105195419)

4-[2-hydroxy-9-[5-[(E)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

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