input word = C00049670

Metabolite InformationStructural formula
Name Sibiricose A3
(+)-Sibiricose A3
Formula C19H26O13
Mw 462.13734092
CAS RN 139726-39-9
C_ID C00049670 ,
InChIKey CDTIMEVVBBGLIF-CLEIJSQXNA-N
InChICode InChI=1S/C19H26O13/c20-5-10-13(24)16(27)19(7-21,31-10)32-18-15(26)14(25)12(23)11(30-18)6-29-17(28)8-1-3-9(22)4-2-8/h1-4,10-16,18,20-27H,5-7H2/t10-,11-,12+,13-,14+,15-,16+,18-,19+/m1/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)CO)COC(=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala sibirica Ref.
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