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 O=c1c2c(oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c13)-c1ccc(O)c(O)c1OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOphioglossaceaeOphioglossum petiolatum Ref.
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