input word = C00042808

Metabolite InformationStructural formula
Name Ophioglonol 4'-O-beta-D-glucopyranoside
Formula C22H22O12
Mw 478.11112617
CAS RN 850754-69-7
C_ID C00042808 ,
InChIKey XTPXAOSAGWJNDB-KVEHBXRINA-N
InChICode InChI=1S/C22H22O12/c23-6-10-17(28)16-12(27)4-9(25)5-14(16)32-21(10)8-1-2-13(11(26)3-8)33-22-20(31)19(30)18(29)15(7-24)34-22/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m1/s1
SMILES O=c1c(CO)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOphioglossaceaeOphioglossum petiolatum Ref.
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OrganismOphioglossum petiolatum
ReferenceLin,J.Nat.Prod.,68,(2005),381