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CHEBI:222975 - Penijanthinone B

ChEBI IDCHEBI:222975
ChEBI NamePenijanthinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O6
Net Charge0
Average Mass480.601
Monoisotopic Mass480.25119
SMILESCCCCCC[C@H](C)/C=C(\C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c(C)cccc23)[C@](C)(O)C1=O
InChIInChI=1S/C29H36O6/c1-7-8-9-10-12-17(2)15-19(4)26(32)35-29(6)25(31)24-20-14-11-13-18(3)23(20)22(30)16-21(24)28(5,34)27(29)33/h11,13-17,30,34H,7-10,12H2,1-6H3/b19-15+/t17-,28-,29-/m0/s1
InChIKeyHCFKALFLCWRAPK-SHUGVKLDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30693772)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Penijanthinone B (CHEBI:222975) is a phenanthrol (CHEBI:25962)
IUPAC Name 
[(1S,3S)-1,9-dihydroxy-1,3,8-trimethyl-2,4-dioxophenanthren-3-yl] (E,4S)-2,4-dimethyldec-2-enoate
Manual XrefsDatabases
71120874ChemSpider