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CHEBI:226471 - Psathyrin A

ChEBI IDCHEBI:226471
ChEBI NamePsathyrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCC(C)[C@H]1CC(=O)[C@]23[C@@H]4C=C(CO)C[C@@H](O)[C@@H]4[C@@]2(C)CC[C@]13C
InChIInChI=1S/C20H30O3/c1-11(2)13-9-16(23)20-14-7-12(10-21)8-15(22)17(14)19(20,4)6-5-18(13,20)3/h7,11,13-15,17,21-22H,5-6,8-10H2,1-4H3/t13-,14-,15-,17-,18-,19-,20+/m1/s1
InChIKeyMIAASKULIRSWTB-BHHNFVLOSA-N
Species of MetaboliteComponentSourceComments
Candolleomyces candolleanus (ncbitaxon:71730) - PubMed (32330030)
ChEBI Ontology
Outgoing Relation(s)
Psathyrin A (CHEBI:226471) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,2R,6R,7S,8R,11R,12R)-6-hydroxy-4-(hydroxymethyl)-8,11-dimethyl-12-propan-2-yltetracyclo[6.6.0.01,11.02,7]tetradec-3-en-14-one