CHEBI:207958 - Altercrasin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Altercrasin B
ChEBI ID CHEBI:207958
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H33NO5
Net Charge 0
Average Mass 415.530
Monoisotopic Mass 415.23587
InChI InChI=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
InChIKey VDRRUDLAEDBVQI-FUGWJJCZSA-N
SMILES O=C1N[C@H]([C@H](O)C)C([C@@]12C(=O)[C@]3([C@H]4[C@@H](C[C@H](C)CC4)C=C[C@H]3[C@@H]2C=C[C@H](O)C)C)=O
Metabolite of Species Details
Alternaria (NCBI:txid5598) See: PubMed
ChEBI Ontology
Outgoing 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