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Bucharaine

PropertiesImage
MNX_IDMNXM44873 Image of MNXM44873
referencechebi:3203
formulaC19H25NO4
global charge0
mol weight331.412
InChIKeyPBWIOAMUZKICDN-JLHYYAGUSA-N
InChIInChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+
SMILESC/C(=C\COC1=CC(=O)NC2=CC=CC=C21)CCC(O)C(C)(C)O
MNX internals
InChI (mnx)InChI=1/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+/t17? Image of MNXM44873
SMILES (mnx)[CH3:1]/[C:13]([CH2:8][CH2:9][CH:17]([C:19]([CH3:2])([CH3:3])[OH:23])[OH:21])=[CH:10]\[CH2:11][O:24][C:16]1=[CH:12][C:18]([OH:22])=[N:20][C:15]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:14]21
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

seed.compound:cpd07535
seedM:cpd07535
CHEBI:3203
chebi:3203
kegg.compound:C10649
keggC:C10649
PBWIOAMUZKICDN-JLHYYAGUSA-N 		Bucharaine

keggC:M_C10649
seedM:M_cpd07535 		secondary/obsolete/fantasy identifier