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CHEBI:205346 - Crinipellin B

ChEBI IDCHEBI:205346
ChEBI NameCrinipellin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=C1C(=O)[C@H]2O[C@@]23[C@@H]1C[C@]12CC[C@H](C(C)C)[C@@]1(C)C(=O)[C@H](O)[C@]32C
InChIInChI=1S/C20H26O4/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/h9,11-12,15-16,23H,3,6-8H2,1-2,4-5H3/t11-,12-,15+,16-,17+,18+,19-,20+/m1/s1
InChIKeyPBZBBNIYZKWVGM-NPWZTIOKSA-N
ChEBI Ontology
Outgoing Relation(s)
Crinipellin B (CHEBI:205346) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,6S,8R,9R,10R,12R,13R)-10-hydroxy-9,12-dimethyl-4-methylidene-13-propan-2-yl-7-oxapentacyclo[7.6.0.01,12.03,8.06,8]pentadecane-5,11-dione
Manual XrefsDatabases
9231770ChemSpider