input word = C00036040

Metabolite InformationStructural formula
Name Aragoside
(-)-Aragoside
Formula C34H44O20
Mw 772.24259385
CAS RN 625855-85-8
C_ID C00036040 ,
InChIKey KXPJSAHXIDCYOG-XYTAKHJXNA-N
InChICode InChI=1S/C34H44O20/c35-11-21-25(44)26(45)28(47)33(50-21)53-30-29(52-23(42)6-3-14-1-4-16(37)18(39)9-14)22(12-36)51-34(48-8-7-15-2-5-17(38)19(40)10-15)31(30)54-32-27(46)24(43)20(41)13-49-32/h1-6,9-10,20-22,24-41,43-47H,7-8,11-13H2/b6-3+/t20-,21+,22+,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OCCc1ccc(c(c1)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeAragoa cundinamarcensis Ref.
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