input word = C00031108

Metabolite InformationStructural formula
Name Pteroside C
Formula C20H28O8
Mw 396.17841787
CAS RN 35910-17-9
C_ID C00031108 ,
InChIKey VKDMMOFAMUXTQZ-RBJNLQAANA-N
InChICode InChI=1S/C20H28O8/c1-8-6-12-14(16(23)10(3)15(12)22)9(2)11(8)4-5-27-20-19(26)18(25)17(24)13(7-21)28-20/h6,10,13,15,17-22,24-26H,4-5,7H2,1-3H3/t10-,13-,15-,17-,18+,19-,20-/m1/s1
SMILES Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](C)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
PlantaePteridaceaePteris multifida Ref.
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