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CHEBI:170115 - Sideridiol

ChEBI IDCHEBI:170115
ChEBI NameSideridiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12CC[C@@]3([H])[C@]4(C)CCC[C@](C)(CO)[C@@]4([H])C[C@H](O)[C@@]3(C=C1C)C2
InChIInChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-17,21-22H,4-9,11-12H2,1-3H3/t14-,15+,16-,17+,18-,19+,20+/m1/s1
InChIKeyBATFJLLEMUIAJD-PHUPPTAPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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)
Sideridiol (CHEBI:170115) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,2S,4S,5S,9R,10S,13R)-5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-2-ol
Manual XrefsDatabases
68026950ChemSpider