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CHEBI:207958 - Altercrasin B

ChEBI IDCHEBI:207958
ChEBI NameAltercrasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33NO5
Net Charge0
Average Mass415.530
Monoisotopic Mass415.23587
SMILESC[C@@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@H](C=C[C@@H](C)O)[C@@]4(C(=O)N[C@H]([C@@H](C)O)C4=O)C(=O)[C@@]23C)C1
InChIInChI=1S/C24H33NO5/c1-12-5-8-16-15(11-12)7-10-17-18(9-6-13(2)26)24(21(29)23(16,17)4)20(28)19(14(3)27)25-22(24)30/h6-7,9-10,12-19,26-27H,5,8,11H2,1-4H3,(H,25,30)/t12-,13-,14-,15-,16-,17+,18+,19-,23+,24+/m1/s1
InChIKeyVDRRUDLAEDBVQI-FUGWJJCZSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (30978906)
ChEBI Ontology
Outgoing Relation(s)
Altercrasin B (CHEBI:207958) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R,3S,3aS,5'R,5aS,7R,9aR,9bS)-3-[(3R)-3-hydroxybut-1-enyl]-5'-[(1R)-1-hydroxyethyl]-7,9b-dimethylspiro[3,3a,5a,6,7,8,9,9a-octahydrocyclopenta[a]naphthalene-2,3'-pyrrolidine]-1,2',4'-trione