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CHEBI:192213 - Kirenol

ChEBI IDCHEBI:192213
ChEBI NameKirenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILES[H][C@]12CCC3=C[C@@](C)([C@@H](O)CO)CC[C@@]3([H])[C@]1(C)C[C@H](O)C[C@@]2(C)CO
InChIInChI=1S/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKeyNRYNTARIOIRWAB-JPDRSCFKSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Kirenol (CHEBI:192213) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
Manual XrefsDatabases
24534048ChemSpider