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CHEBI:199720 - Auxarthrol B

ChEBI IDCHEBI:199720
ChEBI NameAuxarthrol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O9
Net Charge0
Average Mass354.311
Monoisotopic Mass354.09508
SMILESCOc1cc(O)c2c(c1)C(=O)[C@@]1(O)C[C@](C)(O)[C@@H](O)[C@@H](O)[C@@]1(O)C2=O
InChIInChI=1S/C16H18O9/c1-14(22)5-15(23)10(18)7-3-6(25-2)4-8(17)9(7)11(19)16(15,24)13(21)12(14)20/h3-4,12-13,17,20-24H,5H2,1-2H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyXICPGXMHBSJNAL-QRJUGERDSA-N
Species of MetaboliteComponentSourceComments
Malbranchea umbrina (ncbitaxon:203537) - PubMed (14749964)
ChEBI Ontology
Outgoing Relation(s)
Auxarthrol B (CHEBI:199720) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-hexahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Manual XrefsDatabases
78436536ChemSpider