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CHEBI:213507 - Arthpyrone J

ChEBI IDCHEBI:213507
ChEBI NameArthpyrone J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO7
Net Charge0
Average Mass445.512
Monoisotopic Mass445.21005
SMILESC[C@@H]1C=C[C@@H]2C[C@H](CO)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/c1-11-2-4-13-8-12(10-26)3-5-14(13)17(11)20(29)18-19(28)15(9-25-23(18)30)24(31)7-6-16(27)21-22(24)32-21/h2,4,9,11-14,16-17,21-22,26-27,31H,3,5-8,10H2,1H3,(H2,25,28,30)/t11-,12-,13-,14-,16-,17-,21-,22-,24+/m1/s1
InChIKeyAWKZSIYRFHPBKI-OFWJPBPWSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29786655)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone J (CHEBI:213507) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1R,2R,4aS,6R,8aR)-6-(hydroxymethyl)-2-methyl-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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