input word = C00046926

Metabolite InformationStructural formula
Name Sibiricose A5
(-)-Sibiricose A5
Formula C22H30O14
Mw 518.16355567
CAS RN 107912-97-0
C_ID C00046926 ,
InChIKey ZPEADZHVGOCGKH-OTEKNRLJNA-N
InChICode InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@@](O1)(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)OC(=O)/C=C/c1cc(c(cc1)O)OC)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala arillata Ref.
PlantaePolygalaceaePolygala sibirica Ref.
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OrganismPolygala arillata
ReferenceKobayashi,J.Nat.Prod.,63,(2000),1066