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CHEBI:213478 - Arthpyrone E

ChEBI IDCHEBI:213478
ChEBI NameArthpyrone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33NO8
Net Charge0
Average Mass463.527
Monoisotopic Mass463.22062
SMILESC[C@@H]1CC[C@H]2[C@H](C(=O)Oc3c(O)c([C@@]4(O)CC[C@@H](O)[C@H](O)[C@H]4O)cnc3=O)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H33NO8/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)23(31)33-20-18(27)15(10-25-22(20)30)24(32)8-7-16(26)19(28)21(24)29/h4-5,10-14,16-17,19,21,26,28-29,32H,3,6-9H2,1-2H3,(H2,25,27,30)/t11-,12-,13-,14-,16-,17-,19+,21-,24+/m1/s1
InChIKeyKIYUFPOZFGVBPM-KNOZKYLVSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29786655)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone E (CHEBI:213478) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
[4-hydroxy-2-oxo-5-[(1S,2R,3S,4R)-1,2,3,4-tetrahydroxycyclohexyl]-1H-pyridin-3-yl] (1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
Manual XrefsDatabases
71048975ChemSpider