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Denudatine

PropertiesImage
MNX_IDMNXM49059 Image of MNXM49059
referencechebi:4402
formulaC22H33NO2
global charge0
mol weight343.511
InChIKeyOVXLNQAYPUEDSI-CNEDWAKUSA-N
InChIInChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14?,15-,16+,17-,18-,19-,20+,21+,22+/m1/s1
SMILESC=C1[C@H]2CC[C@@]3(C4C[C@@H]5[C@@]6(C)CCC[C@]5([C@@H]3[C@H]2O)[C@@H]4N(CC)C6)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14?,15-,16+,17-,18-,19?,20+,21+,22+/m1/s1 Image of MNXM49059
SMILES (mnx)[CH3:1][CH2:4][N:23]1[CH2:11][C@:20]2([CH3:3])[CH2:7][CH2:5][CH2:8][C@@:22]34[C@@H:15]2[CH2:10][CH:14]([C@H:18]31)[C@:21]12[CH2:9][CH2:6][C@H:13]([C:12](=[CH2:2])[C@@H:19]1[OH:25])[C@H:16]([OH:24])[C@H:17]24
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:cpd05586
seedM:cpd05586
CHEBI:4402
chebi:4402
kegg.compound:C08680
keggC:C08680
OVXLNQAYPUEDSI-CNEDWAKUSA-N
OVXLNQAYPUEDSI-WAIMHRRWSA-O 		Denudatine

keggC:M_C08680
seedM:M_cpd05586 		secondary/obsolete/fantasy identifier