input word = C00054342

Metabolite InformationStructural formula
Name Betavulgarin xyloside
Formula C22H20O10
Mw 444.10564686
CAS RN 160485-40-5
C_ID C00054342
InChIKey BKTIRNZJQRNCKX-IMOPPNOFSA-N
InChICode InChI=1S/C22H20O10/c1-27-21-16-14(6-15-20(21)31-9-30-15)28-7-11(17(16)24)10-4-2-3-5-13(10)32-22-19(26)18(25)12(23)8-29-22/h2-7,12,18-19,22-23,25-26H,8-9H2,1H3/t12-,18+,19-,22+/m1/s1
SMILES COc1c2c(cc3occ(-c4ccccc4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(=O)c13)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCeratobasidiaceaeRhizoctonia solani Ref.
PlantaeCaryophyllalesBeta vulgaris Ref.
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OrganismBeta vulgaris
ReferenceCrabbe, P. et al., JACS, 1958, 80, 5258-5263 (Tlatlancuayin)