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Protoemetine

MNXM2717 is deprecated and here replaced by MNXM1108079
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108079 Image of MNXM1108079
referencechebi:8589
formulaC19H27NO3
global charge0
mol weight317.429
InChIKeyBBVFHYCHEWCGBH-ZQIUZPCESA-N
InChIInChI=1S/C19H27NO3/c1-4-13-12-20-7-5-15-10-18(22-2)19(23-3)11-16(15)17(20)9-14(13)6-8-21/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3/t13-,14-,17-/m0/s1
SMILESCC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1CC=O
MNX internals
InChI (mnx)InChI=1/C19H27NO3/c1-4-13-12-20-7-5-15-10-18(22-2)19(23-3)11-16(15)17(20)9-14(13)6-8-21/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3/t13-,14-,17-/m0/s1 Image of MNXM1108079
SMILES (mnx)[CH3:1][CH2:4][C@H:13]1[CH2:12][N:20]2[CH2:7][CH2:5][C:15]3=[CH:10][C:18]([O:22][CH3:2])=[C:19]([O:23][CH3:3])[CH:11]=[C:16]3[C@@H:17]2[CH2:9][C@@H:14]1[CH2:6][CH:8]=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd08620
seedM:cpd08620
CHEBI:8589
chebi:8589
kegg.compound:C11816
keggC:C11816
BBVFHYCHEWCGBH-ZQIUZPCESA-N
BBVFHYCHEWCGBH-ZQIUZPCESA-O 		Protoemetine

keggC:M_C11816
seedM:M_cpd08620 		secondary/obsolete/fantasy identifier