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CHEBI:226476 - Psathyrin B

Default Structure
ChEBI IDCHEBI:226476
ChEBI NamePsathyrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC[C@H](CO)[C@H]1CC(=O)[C@]23[C@@H]4C=C(CO)CC[C@@H]4[C@@]2(C)CC[C@]13C
InChIInChI=1S/C20H30O3/c1-12(10-21)15-9-17(23)20-16-8-13(11-22)4-5-14(16)18(20,2)6-7-19(15,20)3/h8,12,14-16,21-22H,4-7,9-11H2,1-3H3/t12-,14+,15-,16-,18-,19-,20-/m1/s1
InChIKeyWVISPAPYWRUURB-RKOCXBKQSA-N
Species of MetaboliteComponentSourceComments
Candolleomyces candolleanus (ncbitaxon:71730) - PubMed (32330030)
ChEBI Ontology
Outgoing Relation(s)
Psathyrin B (CHEBI:226476) is a ketone (CHEBI:17087)
IUPAC Name 
(1R,2R,7S,8R,11R,12R)-4-(hydroxymethyl)-12-[(2S)-1-hydroxypropan-2-yl]-8,11-dimethyltetracyclo[6.6.0.01,11.02,7]tetradec-3-en-14-one