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CHEBI:212355 - Cangumycin B

ChEBI IDCHEBI:212355
ChEBI NameCangumycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O5
Net Charge0
Average Mass326.348
Monoisotopic Mass326.11542
SMILESC[C@@H]1CC(=O)C2=C(C=C[C@@]3(O)[C@@H]2C(=O)c2cccc(O)c2[C@@H]3O)C1
InChIInChI=1S/C19H18O5/c1-9-7-10-5-6-19(24)16(14(10)13(21)8-9)17(22)11-3-2-4-12(20)15(11)18(19)23/h2-6,9,16,18,20,23-24H,7-8H2,1H3/t9-,16-,18-,19+/m0/s1
InChIKeyKINBEBQZPVMMJN-JEMNGFDGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/S1875-5364(19)30121-9)
ChEBI Ontology
Outgoing Relation(s)
Cangumycin B (CHEBI:212355) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,6aR,7S,12aR)-6a,7,8-trihydroxy-3-methyl-3,4,7,12a-tetrahydro-2H-benzo[a]anthracene-1,12-dione