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CHEBI:209803 - Penerpene A

ChEBI IDCHEBI:209803
ChEBI NamePenerpene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO6
Net Charge0
Average Mass481.589
Monoisotopic Mass481.24644
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4C[C@]5(OCNc6ccccc65)C(=O)[C@@]43C)C2=CC1=O
InChIInChI=1S/C28H35NO6/c1-24(2,32)22-20(30)13-18-21(35-22)10-11-25(3)26(4)16(9-12-28(18,25)33)14-27(23(26)31)17-7-5-6-8-19(17)29-15-34-27/h5-8,13,16,21-22,29,32-33H,9-12,14-15H2,1-4H3/t16-,21-,22-,25+,26+,27+,28+/m0/s1
InChIKeyLPWZGPBWXQYPSN-IHBLZFHVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31188002)
ChEBI Ontology
Outgoing Relation(s)
Penerpene A (CHEBI:209803) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(3'aS,3'bR,4R,5'aS,7'R,9'bS,11'aS)-9'b-hydroxy-7'-(2-hydroxypropan-2-yl)-3'a,3'b-dimethylspiro[1,2-dihydro-3,1-benzoxazine-4,2'-4,5,5a,10,11,11a-hexahydro-1H-indeno[6,7-]chromene]-3',8'-dione
Manual XrefsDatabases
76003785ChemSpider