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CHEBI:212624 - (6bR,7R,8S)-7-methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[j]fluoranthen-3-one

ChEBI IDCHEBI:212624
ChEBI Name(6bR,7R,8S)-7-methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[j]fluoranthen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O5
Net Charge0
Average Mass350.370
Monoisotopic Mass350.11542
SMILESCO[C@H]1[C@@H](O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@H]21
InChIInChI=1S/C21H18O5/c1-26-21-18-11-6-8-14(24)19-13(23)7-5-10(16(11)19)15(18)9-3-2-4-12(22)17(9)20(21)25/h2-4,6,8,18,20-22,24-25H,5,7H2,1H3/t18-,20+,21-/m1/s1
InChIKeyXAABSYWNTKOZII-HLAWJBBLSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cf. cladosporioides (ncbitaxon:2175244) - PubMed (11513036)
ChEBI Ontology
Outgoing Relation(s)
(6bR,7R,8S)-7-methoxy-4,8,9-trihydroxy-1,6b,7,8-tetrahydro-2H-benzo[j]fluoranthen-3-one (CHEBI:212624) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(9S,10R,11R)-7,9,15-trihydroxy-10-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-17-one
Manual XrefsDatabases
9286032ChemSpider