input word = C00005700

Metabolite InformationStructural formula
Name Ranupenin 8-glucoside
Formula C22H22O13
Mw 494.10604079
CAS RN 67550-03-2
C_ID C00005700 ,
InChIKey LEOBQMJSFAJIDQ-PIQAFPAANA-N
InChICode InChI=1S/C22H22O13/c1-32-11-5-10(26)13-15(28)17(30)19(7-2-3-8(24)9(25)4-7)34-21(13)20(11)35-22-18(31)16(29)14(27)12(6-23)33-22/h2-5,12,14,16,18,22-27,29-31H,6H2,1H3/t12-,14-,16+,18+,22+/m1/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(c(c2=O)O)c1ccc(c(c1)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeAtraphaxis pyrifolia Ref.
PlantaePolygonaceaeEriogonum nudum Ref.
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