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

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

MNXM17279 is deprecated and here replaced by MNXM731658
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM731658Image of MNXM731658
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC29H44O8
charge0
mass520.30362
referencemetacycM:CPD-10540
InChIKeyWQMLFJWIKARBFW-QYLLKCSRSA-N
InChIInChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17-,18+,19-,20+,21-,23-,24+,25-,26+,27+,28-,29+/m1/s1
SMILESC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-10540
metacycM:CPD-10540 		(digitoxigenin-3beta-yl)-beta-D-quinovoside
seed.compound:cpd22709
seedM:cpd22709 		digitoxigenin 3-O-beta-D-quinovoside
seedM:M_cpd22709 secondary/obsolete/fantasy identifier