CHEBI:171685 - Mosinone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mosinone A
ChEBI ID CHEBI:171685
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H64O7
Net Charge 0
Average Mass 620.912
Monoisotopic Mass 620.46520
InChI InChI=1S/C37H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33(40)35-25-26-36(44-35)34(41)24-17-14-15-20-31(39)21-18-19-22-32-28-30(27-29(2)38)37(42)43-32/h12-13,30,32-36,40-41H,3-11,14-28H2,1-2H3/b13-12-
InChIKey MEZMFFSHBLPWKU-SEYXRHQNSA-N
SMILES O1C(CCC1C(O)CC/C=C\CCCCCCCCCC)C(O)CCCCCC(=O)CCCCC2OC(=O)C(C2)CC(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Mosinone A (CHEBI:171685) is a polyketide (CHEBI:26188)
IUPAC Name
5-[11-hydroxy-11-[5-[(Z)-1-hydroxypentadec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
Manual Xrefs Databases
35013333 ChemSpider
HMDB0031228 HMDB
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