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CHEBI:216719 - Crinipellin I

ChEBI IDCHEBI:216719
ChEBI NameCrinipellin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(C)[C@H]1CC[C@]23C[C@@H]4[C@H](C)C(=O)[C@H]5O[C@]54[C@@]2(C)C(=O)[C@H](O)[C@]13C
InChIInChI=1S/C20H28O4/c1-9(2)11-6-7-19-8-12-10(3)13(21)16-20(12,24-16)18(19,5)15(23)14(22)17(11,19)4/h9-12,14,16,22H,6-8H2,1-5H3/t10-,11+,12+,14-,16+,17-,18-,19+,20-/m0/s1
InChIKeyYCAWNFYZBRTGCT-KADMBFQPSA-N
Species of MetaboliteComponentSourceComments
Crinipellis rhizomaticola (ncbitaxon:662663) - PubMed (30227680)
ChEBI Ontology
Outgoing Relation(s)
Crinipellin I (CHEBI:216719) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3R,4S,6S,8R,9S,11R,12R,13R)-11-hydroxy-4,9,12-trimethyl-13-propan-2-yl-7-oxapentacyclo[7.6.0.01,12.03,8.06,8]pentadecane-5,10-dione