input word = C00033326

Metabolite InformationStructural formula
Name Putorinoside A
(-)-Putorinoside A
Formula C22H22O12
Mw 478.11112617
CAS RN 448963-67-5
C_ID C00033326 ,
InChIKey AYCSBOMTBKSKIG-JQYNPLNUNA-N
InChICode InChI=1S/C22H22O12/c1-32-21-9(5-23)11(33-22-20(31)19(30)18(29)12(6-24)34-22)4-8-14(21)15(26)7-2-3-10(25)17(28)13(7)16(8)27/h2-4,12,18-20,22-25,28-31H,5-6H2,1H3/t12-,18-,19+,20-,22-/m1/s1
SMILES c12c(C(=O)c3c(C1=O)cc(c(c3OC)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)ccc(c2O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePutoria calabrica Ref.
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