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deacetylipecoside

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1374000 Image of MNXM1374000 Image of MNXM1374000
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC25H34NO11
charge1
mass524.543
referencemetacycM:DEACETYLIPECOSIDE
InChIKeyMTAVTRZTGFLKSC-UHFFFAOYSA-O
InChIInChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/p+1
SMILES[CH2:1]=[CH:3][CH:12]1[CH:14]([CH2:7][CH:16]2[c:13]3[cH:8][c:18]([OH:29])[c:17]([OH:28])[cH:6][c:11]3[CH2:4][CH2:5][NH:26]2)[C:15]([C:23](=[O:33])[O:34][CH3:2])=[CH:10][O:35][CH:24]1[O:37][CH:25]1[CH:22]([OH:32])[CH:21]([OH:31])[CH:20]([OH:30])[CH:19]([CH2:9][OH:27])[O:36]1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:DEACETYLIPECOSIDE
metacycM:DEACETYLIPECOSIDE 		deacetylipecoside
(1R)-deacetylipecoside
N-deacetylipecoside
metacyc.compound:DEACETYLISOIPECOSIDE
metacycM:DEACETYLISOIPECOSIDE 		deacetylisoipecoside
(1S)-deacetylisoipecoside
N-deacetylisoipecoside