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CHEBI:225393 - Penerpene H

ChEBI IDCHEBI:225393
ChEBI NamePenerpene H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO5
Net Charge0
Average Mass449.547
Monoisotopic Mass449.22022
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4C(=O)c5c(nc6ccccc56)[C@@]43C)C2=CC1=O
InChIInChI=1S/C27H31NO5/c1-24(2,31)23-18(29)13-16-19(33-23)10-11-25(3)26(4)15(9-12-27(16,25)32)21(30)20-14-7-5-6-8-17(14)28-22(20)26/h5-8,13,15,19,23,28,31-32H,9-12H2,1-4H3/t15-,19-,23-,25+,26+,27+/m0/s1
InChIKeyOUBLQCRJHJCFIK-CWXJUIEOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31469560)
ChEBI Ontology
Outgoing Relation(s)
Penerpene H (CHEBI:225393) is a organic heterotricyclic compound (CHEBI:26979)
Penerpene H (CHEBI:225393) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,11S,14R)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaene-8,15-dione
Manual XrefsDatabases
81360789ChemSpider