input word = C00021500

Metabolite InformationStructural formula
Name Pteroside W
Formula C21H30O9
Mw 426.18898256
CAS RN 62043-48-5
C_ID C00021500 ,
InChIKey XQSJNLITOZBRQK-OUYBADTENA-N
InChICode InChI=1S/C21H30O9/c1-9-6-11-14(19(28)21(2,3)18(11)27)12(7-22)10(9)4-5-29-20-17(26)16(25)15(24)13(8-23)30-20/h6,13,15-18,20,22-27H,4-5,7-8H2,1-3H3/t13-,15-,16+,17-,18-,20-/m1/s1
SMILES Cc1cc2c(c(CO)c1CCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)C(=O)C(C)(C)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaePteris fauriei Ref.
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