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Anacrotine

PropertiesImage
MNX_IDMNXM42020 Image of MNXM42020
referencechebi:2697
formulaC18H25NO6
global charge0
mol weight351.399
InChIKeyNPYPUYCITBTPSF-TZCAYXSXSA-N
InChIInChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
SMILESC/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
MNX internals
InChI (mnx)InChI=1/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1 Image of MNXM42020
SMILES (mnx)[CH3:1]/[CH:4]=[C:11]1/[CH2:7][C@@H:10]([CH3:2])[C@@:18]([CH3:3])([OH:23])[C:17](=[O:22])[O:24][CH2:9][C:12]2=[CH:5][CH2:6][N:19]3[CH2:8][C@@H:13]([OH:20])[C@H:15]([C@@H:14]23)[O:25][C:16]1=[O:21]
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:cpd07166
seedM:cpd07166
CHEBI:2697
chebi:2697
kegg.compound:C10277
keggC:C10277
NPYPUYCITBTPSF-TZCAYXSXSA-N 		Anacrotine

keggC:M_C10277
seedM:M_cpd07166 		secondary/obsolete/fantasy identifier