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Crinine

PropertiesImage
MNX_IDMNXM11202 Image of MNXM11202
referencechebi:31437
formulaC16H17NO3
global charge0
mol weight271.316
InChIKeyRPAORVSEYNOMBR-IUIKQTSFSA-N
InChIInChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1
SMILESO[C@H]1C=C[C@@]23CCN(CC4=CC5=C(C=C42)OCO5)[C@@H]3C1
MNX internals
InChI (mnx)InChI=1/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1 Image of MNXM11202
SMILES (mnx)[CH:1]1=[CH:2][C@@:16]23[CH2:3][CH2:4][N:17]([CH2:8][C:10]4=[CH:5][C:13]5=[C:14]([CH:7]=[C:12]42)[O:20][CH2:9][O:19]5)[C@@H:15]3[CH2:6][C@H:11]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31437
chebi:31437
kegg.compound:C12162
keggC:C12162
RPAORVSEYNOMBR-IUIKQTSFSA-N 		Crinine

seed.compound:cpd08943
seedM:cpd08943
RPAORVSEYNOMBR-IUIKQTSFSA-O 		Crinine
crinine

metacyc.compound:CPD-19439
metacycM:CPD-19439
RPAORVSEYNOMBR-IUIKQTSFSA-N 		crinine

keggC:M_C12162
seedM:M_cpd08943 		secondary/obsolete/fantasy identifier