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CHEBI:224500 - 6bS, 7R, 8S)-7-methoxy-4, 8, 9-trihydroxy-1, 6b, 7, 8-tetrahydro-2H-benzo[j]fluoranthen-3-one

ChEBI IDCHEBI:224500
ChEBI Name6bS, 7R, 8S)-7-methoxy-4, 8, 9-trihydroxy-1, 6b, 7, 8-tetrahydro-2H-benzo[j]fluoranthen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O5
Net Charge0
Average Mass364.397
Monoisotopic Mass364.13107
SMILESCO[C@@H]1[C@@H]2C(=C3CCC(=O)c4c(O)ccc2c43)c2cccc(O)c2[C@@H]1OC
InChIInChI=1S/C22H20O5/c1-26-21-18-10(4-3-5-13(18)23)16-11-6-8-14(24)20-15(25)9-7-12(17(11)20)19(16)22(21)27-2/h3-5,7,9,19,21-23,25H,6,8H2,1-2H3/t19-,21-,22+/m0/s1
InChIKeyDROORLDPDTXWFN-ILWGZMRPSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cf. cladosporioides (ncbitaxon:2175244) - PubMed (11513036)
ChEBI Ontology
Outgoing Relation(s)
6bS, 7R, 8S)-7-methoxy-4, 8, 9-trihydroxy-1, 6b, 7, 8-tetrahydro-2H-benzo[j]fluoranthen-3-one (CHEBI:224500) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(9S,10R,11S)-7,15-dihydroxy-9,10-dimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one
Manual XrefsDatabases
9232744ChemSpider