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CHEBI:225388 - Penerpene G

ChEBI IDCHEBI:225388
ChEBI NamePenerpene G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO5
Net Charge0
Average Mass451.563
Monoisotopic Mass451.23587
SMILESCC(C)(O)[C@@H]1OC(=O)C=C2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]2Cc4c(nc5ccccc45)[C@@]23C)O1
InChIInChI=1S/C27H33NO5/c1-24(2,30)23-32-20-10-11-25(3)26(4)15(9-12-27(25,31)18(20)14-21(29)33-23)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,20,23,28,30-31H,9-13H2,1-4H3/t15-,20-,23-,25+,26+,27+/m0/s1
InChIKeyLZJSYSGVWJELTF-LTJRSIHISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31469560)
ChEBI Ontology
Outgoing Relation(s)
Penerpene G (CHEBI:225388) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,2R,5S,7S,12S,15S)-12-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,8-dioxa-24-azahexacyclo[13.10.0.02,12.05,11.017,25.018,23]pentacosa-10,17(25),18,20,22-pentaen-9-one
Manual XrefsDatabases
81360788ChemSpider