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Elwesine

PropertiesImage
MNX_IDMNXM167681 Image of MNXM167681
referencekeggC:C21637
formulaC16H21NO3
global charge0
mol weight275.348
InChIKeyCTECRPNIWSEFRW-IUIKQTSFSA-N
InChIInChI=1S/C16H21NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,11,15,18-19H,2-5,7,9H2,1H3/t11-,15+,16+/m0/s1
SMILESCOC1=CC2=C(C=C1O)CN1CC[C@]23CC[C@H](O)C[C@@H]13
MNX internals
InChI (mnx)InChI=1/C16H21NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,11,15,18-19H,2-5,7,9H2,1H3/t11-,15+,16+/m0/s1 Image of MNXM167681
SMILES (mnx)[CH3:1][O:20][C:14]1=[C:13]([OH:19])[CH:6]=[C:10]2[CH2:9][N:17]3[CH2:5][CH2:4][C@:16]4([CH2:3][CH2:2][C@H:11]([OH:18])[CH2:7][C@H:15]43)[C:12]2=[CH:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C21637
keggC:C21637
CTECRPNIWSEFRW-IUIKQTSFSA-N 		Elwesine

metacyc.compound:CPD-19423
metacycM:CPD-19423
seed.compound:cpd33053
seedM:cpd33053
CTECRPNIWSEFRW-IUIKQTSFSA-N
CTECRPNIWSEFRW-IUIKQTSFSA-O 		elwesine

keggC:M_C21637
seedM:M_cpd33053 		secondary/obsolete/fantasy identifier