input word = C00034798

Metabolite InformationStructural formula
Name Arenarioside
Forsythoside F
Formula C34H44O19
Mw 756.24767923
CAS RN 94130-58-2
C_ID C00034798 ,
InChIKey XPLMUADTACCMDJ-CQPQRPQJNA-N
InChICode InChI=1S/C34H44O19/c1-14-24(41)26(43)28(45)34(50-14)53-31-29(46)33(47-9-8-16-3-6-18(36)20(38)11-16)51-22(13-49-32-27(44)25(42)21(39)12-48-32)30(31)52-23(40)7-4-15-2-5-17(35)19(37)10-15/h2-7,10-11,14,21-22,24-39,41-46H,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](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[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
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
PlantaeOrobanchaceaeOrobanche arenaria Ref.
PlantaePlantaginaceaeVeronica ligustrifolia A.Cunn Ref.
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