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CHEBI:170877 - Annomutacin

ChEBI IDCHEBI:170877
ChEBI NameAnnomutacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68O7
Net Charge0
Average Mass624.944
Monoisotopic Mass624.49650
SMILESCCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCCC(O)CCCCCC(O)CC2=CC(C)OC2=O)O1
InChIInChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-13-12-15-20-31(38)21-16-14-17-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3
InChIKeyALYPJDVVTYTPDW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Annomutacin (CHEBI:170877) is a polyketide (CHEBI:26188)
IUPAC Name 
2-methyl-4-[2,8,15-trihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2H-uran-5-one
Manual XrefsDatabases
116673ChemSpider
HMDB0031749HMDB
Registry NumbersSources
CAS:137550-92-6ChemIDplus