input word = C00039460

Metabolite InformationStructural formula
Name Itoside A
(-)-Itoside A
Formula C20H22O9
Mw 406.1263823
CAS RN 1000069-91-9
C_ID C00039460 ,
InChIKey OKUXNMMTKMWVBG-LGUPCXNPNA-N
InChICode InChI=1S/C20H22O9/c21-9-12-8-13(23)6-7-14(12)27-20-18(17(25)16(24)15(10-22)28-20)29-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
SMILES O=C(O[C@H]1[C@H](Oc2ccc(O)cc2CO)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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