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CHEBI:199132 - Asperpyrone E

ChEBI IDCHEBI:199132
ChEBI NameAsperpyrone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26O9
Net Charge0
Average Mass554.551
Monoisotopic Mass554.15768
SMILESCOc1cc(OC)c2c3c(c(O)c(-c4c(OC)c5c(cc(O)c6c(O)cc(C)oc65)cc4=O)c2c1)C(=O)C=C(C)C3
InChIInChI=1S/C32H26O9/c1-13-6-17-25-18(11-16(38-3)12-23(25)39-4)27(30(37)26(17)19(33)7-13)29-22(36)10-15-9-21(35)28-20(34)8-14(2)41-32(28)24(15)31(29)40-5/h7-12,34-35,37H,6H2,1-5H3
InChIKeyKVCRJELRKNDEHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (23847065)
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)
Asperpyrone E (CHEBI:199132) is a phenanthrol (CHEBI:25962)
IUPAC Name 
4,5-dihydroxy-9-(10-hydroxy-5,7-dimethoxy-3-methyl-1-oxo-4H-phenanthren-9-yl)-10-methoxy-2-methylbenzo[h]chromen-8-one
Manual XrefsDatabases
78435574ChemSpider