input word = C00005751

Metabolite InformationStructural formula
Name Annulatin 3'-xyloside
Formula C21H20O12
Mw 464.09547611
CAS RN 76010-06-5
C_ID C00005751 ,
InChIKey QCMDBALWJYMZBK-ISUMNDIRNA-N
InChICode InChI=1S/C21H20O12/c1-30-20-17(28)14-9(23)4-8(22)5-12(14)32-19(20)7-2-10(24)15(26)13(3-7)33-21-18(29)16(27)11(25)6-31-21/h2-5,11,16,18,21-27,29H,6H2,1H3/t11-,16+,18+,21+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)OC)c1cc(c(c(c1)O)O)O[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeLedum palustre Ref.
PlantaePodocarpaceaeDacrycarpus dacrydioides Ref.
zoom in