input word = C00056535

Metabolite InformationStructural formula
Name Fagopyritol B2
Formula C18H32O16
Mw 504.16903498
CAS RN 116261-02-0
C_ID C00056535
InChIKey MWNCPUNLDATDBW-AKBNUTDMSA-N
InChICode InChI=1S/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12+,13+,14-,15-,16-,17+,18-/m1/s1
SMILES O[C@H]([C@@H](O)[C@@H](O)[C@@H](CO[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)O2)[C@H]2O[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
PlantaePolygonaceaeFagopyrum esculentum Ref.
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