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CHEBI:18328 - 13-hydroxylupanine

ChEBI IDCHEBI:18328
ChEBI Name13-hydroxylupanine
Stars
Secondary ChEBI IDsCHEBI:751, CHEBI:11321, CHEBI:19148
Last Modified3 August 2014
DownloadsMolfile
FormulaC15H24N2O2
Net Charge0
Average Mass264.369
Monoisotopic Mass264.18378
SMILES[H][C@]12C[C@@H](O)CCN1C[C@H]1C[C@@H]2CN2C(=O)CCC[C@]12[H]
InChIInChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12+,13-,14-/m1/s1
InChIKeyJVYKIBAJVKEZSQ-RKQHYHRCSA-N
ChEBI Ontology
Outgoing Relation(s)
13-hydroxylupanine (CHEBI:18328) has functional parent lupanine (CHEBI:28193)
13-hydroxylupanine (CHEBI:18328) is a organic heterotetracyclic compound (CHEBI:38163)
13-hydroxylupanine (CHEBI:18328) is conjugate base of 13-hydroxylupaninium (CHEBI:58446)
Incoming Relation(s)
13-hydroxylupaninium (CHEBI:58446) is conjugate acid of 13-hydroxylupanine (CHEBI:18328)
IUPAC Name 
(2S,7R,7aR,14R,14aR)-2-hydroxydodecahydro-2H,11H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one
Synonyms  Source
13-HydroxylupanineKEGG COMPOUND
13-HydroxylupinineKEGG COMPOUND
13α-hydroxyspartein-2-oneChEBI
(+)-13alpha-HydroxylupanineKEGG COMPOUND
Manual XrefsDatabases
C02621KEGG COMPOUND
C02621KEGG COMPOUND
C00002221KNApSAcK
Registry NumbersSources
CAS:15358-48-2KEGG COMPOUND