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CHEBI:209545 - Clavinflol C

ChEBI IDCHEBI:209545
ChEBI NameClavinflol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H33ClO4
Net Charge0
Average Mass372.933
Monoisotopic Mass372.20674
SMILESC=C1CC[C@H](Cl)[C@@](O)(CO)C[C@@H](O)C2=C(C(C)(C)O)CC[C@@]2(C)CC1
InChIInChI=1S/C20H33ClO4/c1-13-5-6-16(21)20(25,12-22)11-15(23)17-14(18(2,3)24)8-10-19(17,4)9-7-13/h15-16,22-25H,1,5-12H2,2-4H3/t15-,16+,19-,20+/m1/s1
InChIKeyJZFMOJGFJLNSSI-GJJHYRHESA-N
Species of MetaboliteComponentSourceComments
Sansibia flava (ncbitaxon:2486329) - PubMed (31947850)
ChEBI Ontology
Outgoing Relation(s)
Clavinflol C (CHEBI:209545) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,9S,10S,12R)-9-chloro-10-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-3a-methyl-6-methylidene-3,4,5,7,8,9,11,12-octahydro-2H-cyclopenta[11]annulene-10,12-diol
Manual XrefsDatabases
81367036ChemSpider