input word = C00063941

Metabolite InformationStructural formula
Name Polygonimitin B
Formula C21H22O9
Mw 418.1263823
CAS RN 156980-62-0
C_ID C00063941
InChIKey WMAOOSUVFZELAH-CMWLGVBASA-N
InChICode InChI=1S/C21H22O9/c1-8-3-11-12(4-9(8)2)28-13-5-10(23)6-14(16(13)17(11)24)29-21-20(27)19(26)18(25)15(7-22)30-21/h3-6,15,18-23,25-27H,7H2,1-2H3/t15-,18-,19+,20-,21-/m1/s1
SMILES Cc1cc2oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3c(=O)c2cc1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum multiflorum Ref.
zoom in