input word = C00044503

Metabolite InformationStructural formula
Name Adinoside A
Formula C20H28O11
Mw 444.16316174
CAS RN 613261-48-6
C_ID C00044503 ,
InChIKey ZSQNSOMLDLXYKB-OQPVOXKFNA-N
InChICode InChI=1S/C20H28O11/c1-4-10-11(6-5-7-14(22)27-2)12(18(26)28-3)9-29-19(10)31-20-17(25)16(24)15(23)13(8-21)30-20/h4-6,9-11,13,15-17,19-21,23-25H,1,7-8H2,2-3H3/b6-5+/t10-,11+,13-,15-,16+,17-,19+,20+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C([C@H]([C@H]1C=C)/C=C/CC(=O)OC)C(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina racemosa Ref.
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