input word = C00006084

Metabolite InformationStructural formula
Name Orientin 7-O-sulfate
Formula C21H20O14S
Mw 528.05737608
CAS RN
C_ID C00006084 ,
InChIKey LPBOXONDWRTDPQ-RJFRUACSNA-N
InChICode InChI=1S/C21H20O14S/c22-6-14-17(27)18(28)19(29)21(34-14)16-13(35-36(30,31)32)5-11(26)15-10(25)4-12(33-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-24,26-29H,6H2,(H,30,31,32)/t14-,17-,18+,19-,21+/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(OS(=O)(=O)O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaePhoenix roebelenii Ref.
PlantaePalmaeWashingtonia robusta Ref.
zoom in