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crinan

PropertiesImage
MNX_IDMNXM47792 Image of MNXM47792
referencechebi:36057
formulaC16H19NO2
global charge0
mol weight257.333
InChIKeyBTBHTKZYHPDQSN-HZPDHXFCSA-N
InChIInChI=1S/C16H19NO2/c1-2-4-16-5-6-17(15(16)3-1)9-11-7-13-14(8-12(11)16)19-10-18-13/h7-8,15H,1-6,9-10H2/t15-,16-/m1/s1
SMILESC1=C2CN3CC[C@]4(CCCC[C@@H]34)C2=CC2=C1OCO2
MNX internals
InChI (mnx)InChI=1/C16H19NO2/c1-2-4-16-5-6-17(15(16)3-1)9-11-7-13-14(8-12(11)16)19-10-18-13/h7-8,15H,1-6,9-10H2/t15-,16-/m1/s1 Image of MNXM47792
SMILES (mnx)[CH2:1]1[CH2:2][CH2:4][C@@:16]23[CH2:5][CH2:6][N:17]([CH2:9][C:11]4=[CH:7][C:13]5=[C:14]([CH:8]=[C:12]42)[O:19][CH2:10][O:18]5)[C@@H:15]3[CH2:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:36057
chebi:36057
BTBHTKZYHPDQSN-HZPDHXFCSA-N 		crinan