input word = C00042634

Metabolite InformationStructural formula
Name Isoophioglonin 7-O-beta-D-glucopyranoside
Formula C22H20O12
Mw 476.09547611
CAS RN 850754-70-0
C_ID C00042634 ,
InChIKey RXSHFSRFAWYPKN-NTSGMQQNNA-N
InChICode InChI=1S/C22H20O12/c23-5-13-17(28)18(29)19(30)22(34-13)32-7-3-11(25)14-12(4-7)33-20-8-1-2-10(24)16(27)21(8)31-6-9(20)15(14)26/h1-4,13,17-19,22-25,27-30H,5-6H2/t13-,17-,18+,19-,22-/m1/s1
SMILES c12c(COc3c1ccc(c3O)O)c(=O)c1c(o2)cc(cc1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOphioglossaceaeOphioglossum petiolatum Ref.
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