input word = C00005355

Metabolite InformationStructural formula
Name Sexangularetin 3-galactoside
Formula C22H22O12
Mw 478.11112617
CAS RN 94035-83-3
C_ID C00005355 ,
InChIKey LZSGYESPQHEVBU-YBRNPRHINA-N
InChICode InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14+,16+,17-,22+/m1/s1
SMILES COc1c(O)cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeDryas octopetala Ref.
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