EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215882 - Peniciphenalenin A

ChEBI IDCHEBI:215882
ChEBI NamePeniciphenalenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O5
Net Charge0
Average Mass326.348
Monoisotopic Mass326.11542
SMILESCc1cc(=O)c2c(=O)c(=O)c3c=2c1=C(O)[C@]1(O)C=3C[C@H](C)C1(C)C
InChIInChI=1S/C19H18O5/c1-7-5-10(20)13-14-11(7)17(23)19(24)9(6-8(2)18(19,3)4)12(14)15(21)16(13)22/h5,8,23-24H,6H2,1-4H3/t8-,19+/m0/s1
InChIKeyDZALJUQNBPWZGU-WPCRTTGESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29734036)
ChEBI Ontology
Outgoing Relation(s)
Peniciphenalenin A (CHEBI:215882) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(4S,6R)-6,7-dihydroxy-4,5,5,9-tetramethyltetracyclo[6.6.1.02,6.012,15]pentadeca-1,7,9,12(15)-tetraene-11,13,14-trione
Manual XrefsDatabases
78442404ChemSpider