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CHEBI:203259 - (6bS,7R)-4,9-dihydroxy-7-methoxy-1,2,6b,7-tetrahydrobenz[j]fluoranthen-3,8-dione

ChEBI IDCHEBI:203259
ChEBI Name(6bS,7R)-4,9-dihydroxy-7-methoxy-1,2,6b,7-tetrahydrobenz[j]fluoranthen-3,8-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O5
Net Charge0
Average Mass348.354
Monoisotopic Mass348.09977
SMILESCO[C@H]1C(=O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@@H]21
InChIInChI=1S/C21H16O5/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/h2-4,6,8,18,21-22,24H,5,7H2,1H3/t18-,21+/m0/s1
InChIKeyHPRHYYHXYCISPL-GHTZIAJQSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cf. cladosporioides (ncbitaxon:2175244) - PubMed (11513036)
ChEBI Ontology
Outgoing Relation(s)
(6bS,7R)-4,9-dihydroxy-7-methoxy-1,2,6b,7-tetrahydrobenz[j]fluoranthen-3,8-dione (CHEBI:203259) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(10R,11S)-7,15-dihydroxy-10-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione
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9902474ChemSpider