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CHEBI:229149 - Karacolidine

ChEBI IDCHEBI:229149
ChEBI NameKaracolidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35NO5
Net Charge0
Average Mass393.524
Monoisotopic Mass393.25152
SMILES[H][C@]12C[C@]3(O)C(C1O)[C@](O)(C[C@@H]2OC)[C@]1([H])C[C@@]2([H])C34C(O)CC[C@@]2(C)CN(CC)C41
InChIInChI=1S/C22H35NO5/c1-4-23-10-19(2)6-5-15(24)22-14(19)7-12(18(22)23)20(26)9-13(28-3)11-8-21(22,27)17(20)16(11)25/h11-18,24-27H,4-10H2,1-3H3/t11-,12-,13+,14-,15?,16?,17?,18?,19+,20+,21+,22?/m1/s1
InChIKeyPFSQFYVYGQKXRF-NVIQIUFPSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Karacolidine (CHEBI:229149) has functional parent aconitane (CHEBI:35911)
Karacolidine (CHEBI:229149) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name 
(2S,5S,6S,8S,9R,13R,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,4,8,16-tetrol
Manual XrefsDatabases
4477262ChemSpider