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CHEBI:213495 - Arthpyrone H

ChEBI IDCHEBI:213495
ChEBI NameArthpyrone H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO7
Net Charge0
Average Mass461.555
Monoisotopic Mass461.24135
SMILESCO[C@@H]1[C@@H](O)CC[C@@](O)(c2cnc(=O)c(C(=O)[C@@H]3[C@H]4CC[C@H](C)C[C@@H]4C=C[C@@H]3C)c2O)[C@H]1O
InChIInChI=1S/C25H35NO7/c1-12-4-7-15-14(10-12)6-5-13(2)18(15)21(29)19-20(28)16(11-26-24(19)31)25(32)9-8-17(27)22(33-3)23(25)30/h5-6,11-15,17-18,22-23,27,30,32H,4,7-10H2,1-3H3,(H2,26,28,31)/t12-,13-,14-,15-,17-,18-,22+,23-,25+/m0/s1
InChIKeyIZDYDGGWQJJTJL-UCHYQOOUSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29786655)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone H (CHEBI:213495) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-[(1R,2S,3R,4S)-1,2,4-trihydroxy-3-methoxycyclohexyl]-1H-pyridin-2-one
Manual XrefsDatabases
78439262ChemSpider