input word = C00046925

Metabolite InformationStructural formula
Name Sibiricose A1
Formula C23H32O15
Mw 548.17412036
CAS RN 139726-40-2
C_ID C00046925 ,
InChIKey DJBWDHVUJCXYBH-LWISQMTDNA-N
InChICode InChI=1S/C23H32O15/c1-33-11-5-10(6-12(34-2)16(11)27)3-4-15(26)35-8-14-17(28)19(30)20(31)22(36-14)38-23(9-25)21(32)18(29)13(7-24)37-23/h3-6,13-14,17-22,24-25,27-32H,7-9H2,1-2H3/b4-3+/t13-,14-,17-,18-,19+,20-,21+,22-,23+/m1/s1
SMILES c1(cc(c(c(c1)OC)O)OC)/C=C/C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala arillata Ref.
PlantaePolygalaceaePolygala sibirica Ref.
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OrganismPolygala sibirica
ReferenceMiyase,J.Nat.Prod.,62,(1999),993