Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

(digitoxigenin-3beta-yl)-beta-D-glucoside

MNXM14610 is deprecated and here replaced by MNXM728678
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM728678Image of MNXM728678
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC29H44O9
charge0
mass536.29853
referencemetacycM:CPD-10536
InChIKeyCMHWMOGWFZWDMR-FVGBAMMESA-N
InChIInChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1
SMILESC[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-10536
metacycM:CPD-10536 		(digitoxigenin-3beta-yl)-beta-D-glucoside
digitoxigenin 3-O-beta-D-glucoside
digitoxigenin glucoside
digitoxigenin-beta-d-glucoside
glucodigitoxigenin
seed.compound:cpd22705
seedM:cpd22705 		3-O-beta-D-glucoside digitoxigenin
digitoxigenin glucoside
digitoxigenin-beta-d-glucoside
glucodigitoxigenin
seedM:M_cpd22705 secondary/obsolete/fantasy identifier