input word = C00042872

Metabolite InformationStructural formula
Name Pubescenoside A
(-)-Pubescenoside A
Formula C20H26O11
Mw 442.14751167
CAS RN 850878-24-9
C_ID C00042872 ,
InChIKey WTKXHULOWFHFAA-NZEHYTAINA-N
InChICode InChI=1S/C20H26O11/c1-10(8-29-16(25)5-3-11-2-4-12(22)13(23)6-11)14(24)9-30-20-19(28)18(27)17(26)15(7-21)31-20/h2-6,14-15,17-24,26-28H,1,7-9H2/b5-3+/t14-,15-,17-,18+,19-,20-/m1/s1
SMILES c1c(c(cc(c1)/C=C/C(=O)OCC(=C)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex pubescens Ref.
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