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@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O)OCCc1ccc(c(c1)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)O
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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OrganismGlobularia trichosantha
ReferenceCalis,J.Nat.Prod.,64,(2001),60