input word = C00034857

Metabolite InformationStructural formula
Name Hebeoside
Formula C34H44O19
Mw 756.24767923
CAS RN 876184-80-4
C_ID C00034857 ,
InChIKey HZUURLOSYMEMET-TURFWVDNNA-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+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica salicifolia G. Forst. Ref.
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