CHEBI:171852 - Squamone

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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 Squamone
ChEBI ID CHEBI:171852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H62O7
Net Charge 0
Average Mass 594.874
Monoisotopic Mass 594.44955
InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3
InChIKey PAFMHAFYJMTISR-UHFFFAOYSA-N
SMILES O1C(CCC1C(O)CCCCCC(=O)CCCCC2OC(=O)C(C2)CC(=O)C)C(O)CCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Squamone (CHEBI:171852) is a polyketide (CHEBI:26188)
IUPAC Name
5-[11-hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
Manual Xrefs Databases
115760 ChemSpider
HMDB0035939 HMDB
LMFA05000698 LIPID MAPS
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Registry Number Type Source
126655-24-1 CAS Registry Number ChemIDplus