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CHEBI:206983 - Apiosporamide

ChEBI IDCHEBI:206983
ChEBI NameApiosporamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO6
Net Charge0
Average Mass429.513
Monoisotopic Mass429.21514
SMILESC[C@H]1CC[C@@H]2[C@@H](C(=O)c3c(O)c([C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54)cnc3=O)[C@@H](C)C=C[C@H]2C1
InChIInChI=1S/C24H31NO6/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25-23(18)29)24(30)8-7-16(26)21-22(24)31-21/h4-5,10-14,16-17,21-22,26,30H,3,6-9H2,1-2H3,(H2,25,27,29)/t11-,12-,13-,14-,16+,17-,21+,22+,24+/m0/s1
InChIKeyYQTIWISENUYMQD-UOIYJLCQSA-N
Species of MetaboliteComponentSourceComments
Apiosporaspecies (ncbitaxon:2500836) - DOI (10.1021/np50114a012)
ChEBI Ontology
Outgoing Relation(s)
Apiosporamide (CHEBI:206983) 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]-5-[(1R,2R,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-hydroxy-1H-pyridin-4-one
Manual XrefsDatabases
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