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CHEBI:213483 - Arthpyrone F

ChEBI IDCHEBI:213483
ChEBI NameArthpyrone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO6
Net Charge0
Average Mass429.513
Monoisotopic Mass429.21514
SMILESC[C@@H]1CC[C@H]2[C@H](C(=O)c3c4c(cnc3=O)[C@@]3(O)CC[C@@H](O)[C@@H](O)[C@@H]3O4)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H31NO6/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-21-15(10-25-23(18)29)24(30)8-7-16(26)19(27)22(24)31-21/h4-5,10-14,16-17,19,22,26-27,30H,3,6-9H2,1-2H3,(H,25,29)/t11-,12-,13-,14-,16-,17-,19-,22+,24+/m1/s1
InChIKeyZBVSQEYSJDLSLO-PLTLZWSJSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29786655)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone F (CHEBI:213483) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5aS,6R,7R,9aS)-4-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-6,7,9a-trihydroxy-2,5a,6,7,8,9-hexahydro-[1]benzouro[3,2-c]pyridin-3-one
Manual XrefsDatabases
71048976ChemSpider