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3-Acetylnerbowdine

PropertiesImage
MNX_IDMNXM36316 Image of MNXM36316
referencechebi:1446
formulaC19H23NO6
global charge0
mol weight361.394
InChIKeyBSVABPABKQCTBP-GZJVQYRHSA-N
InChIInChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1
SMILESCOC1=C2OCOC2=CC2=C1CN1CC[C@]23[C@H](O)C[C@H](OC(C)=O)C[C@@H]13
MNX internals
InChI (mnx)InChI=1/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1 Image of MNXM36316
SMILES (mnx)[CH3:1][C:10](=[O:21])[O:26][C@@H:11]1[CH2:5][C@@H:15]2[C@@:19]3([CH2:3][CH2:4][N:20]2[CH2:8][C:12]2=[C:17]([O:23][CH3:2])[C:18]4=[C:14]([CH:7]=[C:13]23)[O:24][CH2:9][O:25]4)[C@H:16]([OH:22])[CH2:6]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

seed.compound:cpd05421
seedM:cpd05421
CHEBI:1446
chebi:1446
kegg.compound:C08514
keggC:C08514
BSVABPABKQCTBP-GZJVQYRHSA-N
BSVABPABKQCTBP-GZJVQYRHSA-O
3-Acetylnerbowdine

keggC:M_C08514
seedM:M_cpd05421
secondary/obsolete/fantasy identifier