input word = C00036035

Metabolite InformationStructural formula
Name Alyssonoside
Formula C35H46O19
Mw 770.26332929
CAS RN 142674-76-8
C_ID C00036035 ,
InChIKey BVFLJHVBTFJPHJ-KXZYOJKBNA-N
InChICode InChI=1S/C35H46O19/c1-16-25(41)26(42)27(43)33(51-16)54-30-28(44)32(48-10-9-18-3-6-19(37)21(39)11-18)52-23(13-49-34-31(45)35(46,14-36)15-50-34)29(30)53-24(40)8-5-17-4-7-20(38)22(12-17)47-2/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23+,25-,26+,27-,28+,29+,30+,31-,32+,33-,34+,35+/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO[C@@H]2OC[C@](O)(CO)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium velutinum Ref.
zoom in