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CHEBI:170117 - Sagittariol

ChEBI IDCHEBI:170117
ChEBI NameSagittariol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O2
Net Charge0
Average Mass306.490
Monoisotopic Mass306.25588
SMILESC=CC(C)(O)CCC1(C)C(C)CCC2(C)C(CO)=CCCC21
InChIInChI=1S/C20H34O2/c1-6-18(3,22)12-13-19(4)15(2)10-11-20(5)16(14-21)8-7-9-17(19)20/h6,8,15,17,21-22H,1,7,9-14H2,2-5H3
InChIKeyVAQFTHFEFSWPGQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;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)
Sagittariol (CHEBI:170117) is a diterpenoid (CHEBI:23849)
IUPAC Name 
5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
Manual XrefsDatabases
HMDB0036835HMDB
35014268ChemSpider