input word = C00006747

Metabolite InformationStructural formula
Name Pulchellidin 3-rhamnoside
Formula C22H23O11
Mw 463.12403658
CAS RN
C_ID C00006747 ,
InChIKey KQVLGDFAWAIOEZ-NLHHNNCDNA-O
InChICode InChI=1S/C22H22O11/c1-8-17(26)19(28)20(29)22(31-8)33-16-7-11-14(30-2)5-10(23)6-15(11)32-21(16)9-3-12(24)18(27)13(25)4-9/h3-8,17,19-20,22,26,28-29H,1-2H3,(H3-,23,24,25,27)/p+1/t8-,17-,19+,20-,22-/m0/s1
SMILES COc1cc(O)cc2[o+]c(-c3cc(O)c(O)c(O)c3)c(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)cc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlumbaginaceaePlumbago coerulea Ref.
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