input word = C00054341

Metabolite InformationStructural formula
Name Betavulgarin glucoside
Formula C23H22O11
Mw 474.11621155
CAS RN 160485-41-6
C_ID C00054341
InChIKey OJVQRMQOMTVQTL-BSTKLLGTSA-N
InChICode InChI=1S/C23H22O11/c1-29-22-16-13(6-14-21(22)32-9-31-14)30-8-11(17(16)25)10-4-2-3-5-12(10)33-23-20(28)19(27)18(26)15(7-24)34-23/h2-6,8,15,18-20,23-24,26-28H,7,9H2,1H3/t15-,18-,19+,20-,23-/m1/s1
SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=C(C3=COC(C=C(OCO4)C4=C5OC)=C5C3=O)C=CC=C2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCeratobasidiaceaeRhizoctonia solani Ref.
PlantaeChenopodiaceaeBeta vulgaris Ref.
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OrganismBeta vulgaris
ReferenceCrabbe, P. et al., JACS, 1958, 80, 5258-5263 (Tlatlancuayin)