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CHEBI:200732 - Arthpyrone A

ChEBI IDCHEBI:200732
ChEBI NameArthpyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO7
Net Charge0
Average Mass445.512
Monoisotopic Mass445.21005
SMILESC[C@@H]1CC[C@H]2[C@H](C(=O)c3c4c(cn(O)c3=O)[C@@]3(O)CC[C@H](O)[C@H](O4)[C@@H]3O)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H31NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)19(27)18-20-15(10-25(31)23(18)29)24(30)8-7-16(26)21(32-20)22(24)28/h4-5,10-14,16-17,21-22,26,28,30-31H,3,6-9H2,1-2H3/t11-,12-,13-,14-,16+,17-,21+,22+,24+/m1/s1
InChIKeyXFLQCMDKBYZBJL-XFDICZTPSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (25606827)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone A (CHEBI:200732) is a pyranopyridine (CHEBI:38192)
IUPAC Name 
(1S,9S,10S,13S)-6-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-1,4,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]trideca-2,6-dien-5-one
Manual XrefsDatabases
34452006ChemSpider