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Isoandrocymbine

PropertiesImageOccurences in reactions
MNX_IDMNXM1379380Image of MNXM1379380
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC21H25NO5
charge0
mass371.433
referencechebi:80673
InChIKeyIJGDMFUAWANQSX-LHSJRXKWSA-N
InChIInChI=1S/C21H25NO5/c1-22-8-7-21-11-17(25-2)15(23)10-13(21)14(22)6-5-12-9-16(24)19(26-3)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1
SMILES[CH3:1][N:22]1[CH2:8][CH2:7][C@@:21]23[CH:11]=[C:17]([O:25][CH3:2])[C:15](=[O:23])[CH:10]=[C:13]2[C@@H:14]1[CH2:6][CH2:5][c:12]1[cH:9][c:16]([OH:24])[c:19]([O:26][CH3:3])[c:20]([O:27][CH3:4])[c:18]13
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd16515
seedM:cpd16515
CHEBI:80673
chebi:80673
kegg.compound:C16708
keggC:C16708
vmhM:iacmbn
vmhmetabolite:iacmbn 		Isoandrocymbine
seed.compound:cpd25839
seedM:cpd25839 		(S)-isoandrocymbine
keggC:M_C16708
seedM:M_cpd16515
seedM:M_cpd25839 		secondary/obsolete/fantasy identifier