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CHEBI:212963 - Arthpyrone C

ChEBI IDCHEBI:212963
ChEBI NameArthpyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO7
Net Charge0
Average Mass459.539
Monoisotopic Mass459.22570
SMILESCO[C@]1(c2cn(O)c(=O)c(C(=O)[C@H]3[C@@H]4CC[C@@H](C)C[C@H]4C=C[C@H]3C)c2O)CC[C@@H](O)[C@H]2O[C@H]21
InChIInChI=1S/C25H33NO7/c1-12-4-7-15-14(10-12)6-5-13(2)18(15)21(29)19-20(28)16(11-26(31)24(19)30)25(32-3)9-8-17(27)22-23(25)33-22/h5-6,11-15,17-18,22-23,27-28,31H,4,7-10H2,1-3H3/t12-,13-,14-,15-,17-,18-,22-,23-,25+/m1/s1
InChIKeyRJLLKGPGZLQILJ-HKNVGMCVSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (25606827)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone C (CHEBI:212963) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-1,4-dihydroxy-5-[(1R,2S,5R,6R)-5-hydroxy-2-methoxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridin-2-one
Manual XrefsDatabases
78437481ChemSpider