CHEBI:215882 - Peniciphenalenin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Peniciphenalenin A
ChEBI ID CHEBI:215882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18O5
Net Charge 0
Average Mass 326.348
Monoisotopic Mass 326.11542
InChI InChI=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
InChIKey DZALJUQNBPWZGU-WPCRTTGESA-N
SMILES O=C1C2=C3C(=C(O)[C@@]4(O)C(C)(C)[C@H](CC4=C3C(C2=O)=O)C)C(=C1)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78442404 ChemSpider
View more database links