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CHEBI:213489 - Arthpyrone G

ChEBI IDCHEBI:213489
ChEBI NameArthpyrone G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29NO5
Net Charge0
Average Mass411.498
Monoisotopic Mass411.20457
SMILESC[C@@H]1CC[C@H]2[C@H](C(=O)c3c(=O)ncc4c5c(oc34)[C@H](O)[C@H](O)CC5)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H29NO5/c1-11-3-6-14-13(9-11)5-4-12(2)18(14)21(28)19-22-16(10-25-24(19)29)15-7-8-17(26)20(27)23(15)30-22/h4-5,10-14,17-18,20,26-27H,3,6-9H2,1-2H3,(H,25,29)/t11-,12-,13-,14-,17-,18-,20-/m1/s1
InChIKeyMICREMKKPHNKKJ-WQIVTIEGSA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - PubMed (29786655)
ChEBI Ontology
Outgoing Relation(s)
Arthpyrone G (CHEBI:213489) is a benzofurans (CHEBI:35259)
IUPAC Name 
(6R,7R)-4-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-6,7-dihydroxy-6,7,8,9-tetrahydro-2H-[1]benzouro[3,2-c]pyridin-3-one
Manual XrefsDatabases
71048977ChemSpider