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1,2-O-Diacetylzephyranthine

PropertiesImage
MNX_IDMNXM32198 Image of MNXM32198
referencekeggC:C12171
formulaC20H23NO6
global charge0
mol weight373.405
InChIKeyIUKYXZADSGGCJJ-UJXPUUNTSA-N
InChIInChI=1S/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12-,17-,18+,19-,20-/m1/s1
SMILESCC(=O)O[C@H]1[C@H]2C3=C(C=C4OCOC4=C3)CN3CC[C@H](C[C@H]1OC(C)=O)[C@H]23
MNX internals
InChI (mnx)InChI=1/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12-,17-,18+,19-,20-/m1/s1 Image of MNXM32198
SMILES (mnx)[CH3:1][C:10](=[O:22])[O:26][C@@H:17]1[CH2:5][C@H:12]2[CH2:3][CH2:4][N:21]3[CH2:8][C:13]4=[CH:6][C:15]5=[C:16]([CH:7]=[C:14]4[C@@H:18]([C@@H:19]23)[C@@H:20]1[O:27][C:11]([CH3:2])=[O:23])[O:25][CH2:9][O:24]5
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:cpd08952
seedM:cpd08952
CHEBI:31037
chebi:31037
kegg.compound:C12171
keggC:C12171
IUKYXZADSGGCJJ-LWBLNDQTSA-N
IUKYXZADSGGCJJ-UJXPUUNTSA-N
IUKYXZADSGGCJJ-UJXPUUNTSA-O
1,2-O-Diacetylzephyranthine

keggC:M_C12171
seedM:M_cpd08952
secondary/obsolete/fantasy identifier