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CHEBI:226326 - 3,11-dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one

ChEBI IDCHEBI:226326
ChEBI Name3,11-dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESCOc1cccc2c1C(O)C13C=Cc4cc(C)cc(O)c4C1(O3)C2=O
InChIInChI=1S/C20H16O5/c1-10-8-11-6-7-19-18(23)15-12(4-3-5-14(15)24-2)17(22)20(19,25-19)16(11)13(21)9-10/h3-9,18,21,23H,1-2H3
InChIKeyNIKHTFZKPZYDHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies QL37 (ncbitaxon:2093747) - PubMed (30656821)
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)
3,11-dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one (CHEBI:226326) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
3,11-dihydroxy-13-methoxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),3,5,8,12(17),13,15-heptaen-18-one