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candicine

PropertiesImage
MNX_IDMNXM45370 Image of MNXM45370
referencechebi:3350
formulaC11H18NO
global charge1
mol weight180.271
InChIKeyPTOJXIKSKSASRB-UHFFFAOYSA-O
InChIInChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
SMILESC[N+](C)(C)CCC1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3 Image of MNXM45370
SMILES (mnx)[CH3:1][N+:12]([CH3:2])([CH3:3])[CH2:9][CH2:8][C:10]1=[CH:5][CH:7]=[C:11]([O-:13])[CH:6]=[CH:4]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:3350
chebi:3350
PTOJXIKSKSASRB-UHFFFAOYSA-O 		candicine
2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium
Ammonium, (p-hydroxyphenethyl)trimethyl-
Candicin
Candicine

seed.compound:cpd07461
seedM:cpd07461
kegg.compound:C10575
keggC:C10575
PTOJXIKSKSASRB-UHFFFAOYSA-O 		Candicine
Ammonium, (p-hydroxyphenethyl)trimethyl-
hmdb:HMDB0303388
PTOJXIKSKSASRB-UHFFFAOYSA-O 		Candicine
[2-(4-hydroxyphenyl)ethyl]trimethylazanium
candicine

keggC:M_C10575
seedM:M_cpd07461 		secondary/obsolete/fantasy identifier