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(2R)-1,2-dihydrovomilenine

MNXM2167 is deprecated and here replaced by MNXM1371403
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371403 Image of MNXM1371403
referencechebi:17372
formulaC21H24N2O3
global charge0
mol weight352.434
InChIKeyDRMGJVPVCAJMDJ-OEJJZAABSA-N
InChIInChI=1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,18-,19+,20+,21+/m0/s1
SMILESC/C=C1/[C@@H](O)N2[C@H]3C[C@@]45C6=C(C=CC=C6)N[C@H]4[C@@H]2C[C@@H]1C3[C@H]5OC(C)=O
MNX internals
InChI (mnx)InChI=1/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,18-,19+,20+,21+/m0/s1 Image of MNXM1371403
SMILES (mnx)[CH3:1]/[CH:3]=[C:11]1\[C@@H:12]2[CH2:8][C@H:15]3[C@H:18]4[C@@:21]5([CH2:9][C@@H:16]([CH:17]2[C@H:19]5[O:26][C:10]([CH3:2])=[O:24])[N:23]3[C@@H:20]1[OH:25])[C:13]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:14]1[NH:22]4
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

CHEBI:17372
chebi:17372
DRMGJVPVCAJMDJ-OEJJZAABSA-N 		(2R)-1,2-dihydrovomilenine
1,2-Dihydrovomilenine
1,2-dihydrovomilenine
2-beta-(R)-1,2-Dihydrovomilenine
21alpha-hydroxy-22-norajmal-19-en-17alpha-yl acetate

vmhM:12dvmln
vmhmetabolite:12dvmln
DRMGJVPVCAJMDJ-OEJJZAABSA-N 		1,2-Dihydrovomilenine

seed.compound:cpd08612
seedM:cpd08612
DRMGJVPVCAJMDJ-OEJJZAABSA-N 		1,2-Dihydrovomilenine
1,2-dihydrovomilenine
2-beta-(R)-1,2-Dihydrovomilenine

kegg.compound:C11808
keggC:C11808
DRMGJVPVCAJMDJ-OEJJZAABSA-N 		1,2-Dihydrovomilenine
2-beta-(R)-1,2-Dihydrovomilenine

SLM:000000375
slm:000000375 		1,2-dihydrovomilenine

chebi:11155
chebi:503
keggC:M_C11808
seedM:M_cpd08612
vmhM:M_12dvmln 		secondary/obsolete/fantasy identifier