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CHEBI:213513 - Arthpyrone K

ChEBI IDCHEBI:213513
ChEBI NameArthpyrone K
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FormulaC24H31NO7
Net Charge0
Average Mass445.512
Monoisotopic Mass445.21005
SMILESC[C@@H]1C=C[C@@H]2[C@@H](O)[C@H](C)CC[C@H]2[C@@H]1C(=O)c1c(O)c([C@@]2(O)CC[C@@H](O)[C@H]3O[C@H]32)cnc1=O
InChIInChI=1S/C24H31NO7/c1-10-3-6-13-12(5-4-11(2)18(13)27)16(10)20(29)17-19(28)14(9-25-23(17)30)24(31)8-7-15(26)21-22(24)32-21/h3,6,9-13,15-16,18,21-22,26-27,31H,4-5,7-8H2,1-2H3,(H2,25,28,30)/t10-,11-,12-,13+,15-,16-,18+,21-,22-,24+/m1/s1
InChIKeyUPBGFFSUJLZEHG-IDAYJQGRSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29786655)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone K (CHEBI:213513) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1R,2R,4aS,5S,6R,8aR)-5-hydroxy-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1R,2S,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-4-hydroxy-1H-pyridin-2-one
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71048981ChemSpider