input word = C00031760

Metabolite InformationStructural formula
Name Ehrenoside
Formula C34H44O19
Mw 756.24767923
CAS RN 106323-63-1
C_ID C00031760 ,
InChIKey HZUURLOSYMEMET-QPJJXVBHNA-N
InChICode InChI=1S/C34H44O19/c1-14-24(42)26(44)28(46)33(49-14)52-30-29(51-23(41)7-4-15-2-5-17(36)19(38)10-15)22(12-35)50-34(47-9-8-16-3-6-18(37)20(39)11-16)31(30)53-32-27(45)25(43)21(40)13-48-32/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+/t14-,21-,22+,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H]([C@@H](O1)CO)OC(=O)/C=C/c1cc(c(cc1)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)OCCc1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAsystasia intrusa Ref.
PlantaePlantaginaceaeVeronica bellidioides Ref.
PlantaePlantaginaceaeVeronica pectinata var.glandulosa Ref.
PlantaePlantaginaceaeVeronicastrum sibiricum (L.) Pennell Ref.
zoom in