input word = C00006746

Metabolite InformationStructural formula
Name Pulchellidin 3-glucoside
Formula C22H23O12
Mw 479.1189512
CAS RN
C_ID C00006746 ,
InChIKey AXHJFMYMJAQWDM-ARDHMINRNA-O
InChICode InChI=1S/C22H22O12/c1-31-13-4-9(24)5-14-10(13)6-15(21(32-14)8-2-11(25)17(27)12(26)3-8)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19-,20-,22-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlumbaginaceaePlumbago pulchella Ref.
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