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CHEBI:225375 - (3S,6aR,7R,12R,12aS)-3,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-4,7,12,12a-tetrahydro-2H-benzo[a]anthracen-1-one

ChEBI IDCHEBI:225375
ChEBI Name(3S,6aR,7R,12R,12aS)-3,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-4,7,12,12a-tetrahydro-2H-benzo[a]anthracen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESCOc1cccc2c1[C@@H](O)[C@@]1(O)C=CC3=C(C(=O)C[C@@](C)(O)C3)[C@H]1[C@H]2O
InChIInChI=1S/C20H22O6/c1-19(24)8-10-6-7-20(25)16(14(10)12(21)9-19)17(22)11-4-3-5-13(26-2)15(11)18(20)23/h3-7,16-18,22-25H,8-9H2,1-2H3/t16-,17-,18+,19-,20+/m0/s1
InChIKeyFIAHDCXBPGRVEK-UHZRXMQZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB01913 (ncbitaxon:1712655) - PubMed (26335269)
ChEBI Ontology
Outgoing Relation(s)
(3S,6aR,7R,12R,12aS)-3,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-4,7,12,12a-tetrahydro-2H-benzo[a]anthracen-1-one (CHEBI:225375) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,6aR,7R,12R,12aS)-3,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-4,7,12,12a-tetrahydro-2H-benzo[a]anthracen-1-one
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78437777ChemSpider