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deltaline

Properties Image MNX_ID MNXM1585546 reference chebi:4387 formula C27H41NO8 global charge 0 mol weight 507.624 InChIKey DTTPWCNKTMQMTE-KJPFXSHHSA-N InChI InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27?/m1/s1 SMILES CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C1C1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@H]24 MNX internals InChI (mnx) InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27?/m1/s1 SMILES (mnx) [CH3:1][CH2:7][N:28]1[CH2:12][C@:23]2([CH3:3])[CH2:9][CH2:8][C@H:17]([O:32][CH3:5])[C@@:26]34[C@@H:20]2[C@H:21]([O:36][C:14]([CH3:2])=[O:29])[C:27]2([CH:22]31)[C@:25]1([CH2:11][C@H:16]([O:31][CH3:4])[C@H:15]3[CH2:10][C@:24]4([OH:30])[C@@H:19]1[C@H:18]3[O:33][CH3:6])[O:34][CH2:13][O:35]2

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

Identifier	Description
CHEBI:4387 chebi:4387 DTTPWCNKTMQMTE-KJPFXSHHSA-N	deltaline 20-ethyl-10-hydroxy-1alpha,14alpha,16beta-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitan-6beta-yl acetate Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)- Delphelatine Deltaline Deltamine 6-acetate Eldeline
kegg.compound:C08679 keggC:C08679 DTTPWCNKTMQMTE-KJPFXSHHSA-N	Deltaline Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-
keggC:M_C08679	secondary/obsolete/fantasy identifier