input word = C00058639

Metabolite InformationStructural formula
Name Oregonoside A
Formula C32H36O12
Mw 612.22067662
CAS RN 213817-26-6
C_ID C00058639
InChIKey XAONUVWZDSSGIV-CEWKJYAJSA-N
InChICode InChI=1S/C32H36O12/c33-21(10-6-18-8-12-23(34)25(36)14-18)16-22(11-7-19-9-13-24(35)26(37)15-19)43-32-30(40)29(39)28(38)27(44-32)17-42-31(41)20-4-2-1-3-5-20/h1-5,8-9,12-15,22,27-30,32,34-40H,6-7,10-11,16-17H2/t22-,27+,28+,29-,30+,32+/m0/s1
SMILES O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeAlnus rubra Ref.
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