CHEBI:171856 - Reticulacinone

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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 Reticulacinone
ChEBI ID CHEBI:171856
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H62O7
Net Charge 0
Average Mass 594.874
Monoisotopic Mass 594.44955
InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
InChIKey VYMYUDBNVNOBII-UHFFFAOYSA-N
SMILES O1C(CCC1C(O)CCCC(=O)CCCCCCC(O)CC2=CC(OC2=O)C)C(O)CCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Reticulacinone (CHEBI:171856) is a polyketide (CHEBI:26188)
IUPAC Name
4-[2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-9-oxotridecyl]-2-methyl-2H-uran-5-one
Manual Xrefs Databases
35015129 ChemSpider
HMDB0041213 HMDB
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