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 COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeAtraphaxis pyrifolia Ref.
PlantaePolygonaceaeEriogonum nudum Ref.
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