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CHEBI:214711 - (2R,3S)-7-ethyl-1,2,3,4-tetrahydro-2,3,8-trihydroxy-6-methoxy-3-methyl-9,10-anthracenedione

ChEBI IDCHEBI:214711
ChEBI Name(2R,3S)-7-ethyl-1,2,3,4-tetrahydro-2,3,8-trihydroxy-6-methoxy-3-methyl-9,10-anthracenedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCCc1c(OC)cc2c(c1O)C(=O)C1=C(C[C@](C)(O)[C@H](O)C1)C2=O
InChIInChI=1S/C18H20O6/c1-4-8-12(24-3)5-10-14(16(8)21)17(22)9-6-13(19)18(2,23)7-11(9)15(10)20/h5,13,19,21,23H,4,6-7H2,1-3H3/t13-,18+/m1/s1
InChIKeyBAJJMRGKKYSMIS-ACJLOTCBSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.phytol.2012.08.003)
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-7-ethyl-1,2,3,4-tetrahydro-2,3,8-trihydroxy-6-methoxy-3-methyl-9,10-anthracenedione (CHEBI:214711) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2R,3S)-7-ethyl-2,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Manual XrefsDatabases
29215257ChemSpider