input word = C00005314

Metabolite InformationStructural formula
Name Vogelin
Formula C22H22O11
Mw 462.11621155
CAS RN 35286-53-4
C_ID C00005314 ,
InChIKey COJAFCZHQKNUSI-DABFCXPQNA-N
InChICode InChI=1S/C22H22O11/c1-8-14(24)17(27)19(29)22(31-8)32-10-5-3-9(4-6-10)20-18(28)16(26)13-12(33-20)7-11(23)15(25)21(13)30-2/h3-8,14,17,19,22-25,27-29H,1-2H3/t8-,14-,17+,19-,22-/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum recumbens Ref.
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