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CHEBI:229140 - Holarrhidine

ChEBI IDCHEBI:229140
ChEBI NameHolarrhidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36N2O
Net Charge0
Average Mass332.532
Monoisotopic Mass332.28276
SMILESCC(N)C1CCC2C3CC=C4CC(N)CCC4(C)C3CCC12CO
InChIInChI=1S/C21H36N2O/c1-13(22)17-5-6-19-16-4-3-14-11-15(23)7-9-20(14,2)18(16)8-10-21(17,19)12-24/h3,13,15-19,24H,4-12,22-23H2,1-2H3
InChIKeyZCBATDUBXUJVRC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Holarrhidine (CHEBI:229140) has parent hydride pregnane (CHEBI:8386)
Holarrhidine (CHEBI:229140) is a steroid (CHEBI:35341)
IUPAC Name 
[3-amino-17-(1-aminoethyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol
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