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CHEBI:222969 - Penijanthinone A

ChEBI IDCHEBI:222969
ChEBI NamePenijanthinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O8
Net Charge0
Average Mass516.631
Monoisotopic Mass516.27232
SMILESCCCCCC[C@H](C)/C=C(\C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2C[C@H](O)C[C@]3(C)O)[C@](C)(O)C1=O
InChIInChI=1S/C29H40O8/c1-7-8-9-10-11-16(2)12-17(3)25(33)37-29(6)24(32)22-19-13-18(30)15-27(4,35)23(19)21(31)14-20(22)28(5,36)26(29)34/h12,14,16,18,30-31,35-36H,7-11,13,15H2,1-6H3/b17-12+/t16-,18-,27-,28-,29-/m0/s1
InChIKeyJEDRFBJNAMGAOV-SYSKZKNSSA-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 A (CHEBI:222969) is a phenanthrol (CHEBI:25962)
IUPAC Name 
[(1S,3S,6S,8S)-1,6,8,9-tetrahydroxy-1,3,8-trimethyl-2,4-dioxo-6,7-dihydro-5H-phenanthren-3-yl] (E,4S)-2,4-dimethyldec-2-enoate
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71120873ChemSpider