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CHEBI:170869 - Asitrilobin C

ChEBI IDCHEBI:170869
ChEBI NameAsitrilobin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68O7
Net Charge0
Average Mass624.944
Monoisotopic Mass624.49650
SMILESCCCCCCCCCCCCC(O)C1CCC(C(O)CC(O)CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1
InChIInChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-14-17-20-23-33(40)35-24-25-36(44-35)34(41)28-32(39)22-19-16-13-11-10-12-15-18-21-31(38)27-30-26-29(2)43-37(30)42/h26,29,31-36,38-41H,3-25,27-28H2,1-2H3
InChIKeyBCBLVYJIKUTOHM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Asitrilobin C (CHEBI:170869) is a polyketide (CHEBI:26188)
IUPAC Name 
2-methyl-4-[2,13,15-trihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2H-uran-5-one
Manual XrefsDatabases
35013928ChemSpider
HMDB0035436HMDB