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CHEBI:222310 - Paradictyoarthrin A

ChEBI IDCHEBI:222310
ChEBI NameParadictyoarthrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19ClO8
Net Charge0
Average Mass374.773
Monoisotopic Mass374.07685
SMILESCOc1cc(O)c2c(c1)[C@H](O)[C@@]1(O)C[C@](C)(O)[C@@H](O)[C@@H](O)[C@]1(Cl)C2=O
InChIInChI=1S/C16H19ClO8/c1-14(23)5-15(24)10(19)7-3-6(25-2)4-8(18)9(7)11(20)16(15,17)13(22)12(14)21/h3-4,10,12-13,18-19,21-24H,5H2,1-2H3/t10-,12-,13+,14-,15-,16+/m0/s1
InChIKeyNJTWURSBGZMXTO-OVSZIMMFSA-N
Species of MetaboliteComponentSourceComments
Paradictyoarthrinium (ncbitaxon:1088017) - PubMed (25407145)
ChEBI Ontology
Outgoing Relation(s)
Paradictyoarthrin A (CHEBI:222310) is a anthracenes (CHEBI:46955)
IUPAC Name 
(1R,2S,3S,4aS,9aR,10S)-9a-chloro-1,2,3,4a,8,10-hexahydroxy-6-methoxy-3-methyl-1,2,4,10-tetrahydroanthracen-9-one
Manual XrefsDatabases
35517006ChemSpider