input word = C00036118

Metabolite InformationStructural formula
Name Gardoside methyl ester
Formula C17H24O10
Mw 388.13694699
CAS RN 93930-20-2
C_ID C00036118 ,
InChIKey AFFNBNJOIDYUQN-GUIGVTNWNA-N
InChICode InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-14,16-22H,1,3-4H2,2H3/t7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=C)[C@H](C2)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeAragoa cundinamarcensis Ref.
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OrganismAragoa cundinamarcensis
ReferenceRonsted,Phytochem.,64,(2003),529