input word = C00046308

Metabolite InformationStructural formula
Name Picraquassioside A
Formula C18H22O10
Mw 398.12129692
CAS RN 169312-28-1
C_ID C00046308 ,
InChIKey FQTKOEVCGAVVIG-PGHZQDTLNA-N
InChICode InChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)/t12-,14+,15+,16-,18-/m1/s1
SMILES [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)Oc1c(CCC(=O)O)c(c2c(c1)occ2)OC)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeGlehnia littoralis Ref.
PlantaeRutaceaeRuta graveolens Ref.
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