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CHEBI:213501 - Arthpyrone I

ChEBI IDCHEBI:213501
ChEBI NameArthpyrone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO6
Net Charge0
Average Mass459.583
Monoisotopic Mass459.26209
SMILESCO[C@]1(c2cnc(=O)c(C(=O)[C@H]3[C@@H]4CC[C@@H](C)C[C@H]4C=C[C@H]3C)c2C)CC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H37NO6/c1-13-5-8-17-16(11-13)7-6-14(2)20(17)23(30)21-15(3)18(12-27-25(21)32)26(33-4)10-9-19(28)22(29)24(26)31/h6-7,12-14,16-17,19-20,22,24,28-29,31H,5,8-11H2,1-4H3,(H,27,32)/t13-,14-,16-,17-,19-,20-,22+,24-,26+/m1/s1
InChIKeyKWYUDINJQJSPSU-HVWHZAPTSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29786655)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone I (CHEBI:213501) 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]-4-methyl-5-[(1S,2R,3S,4R)-2,3,4-trihydroxy-1-methoxycyclohexyl]-1H-pyridin-2-one
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78439263ChemSpider