input word = C00002718

Metabolite InformationStructural formula
Name 1-Caffeoyl-beta-D-glucose
Formula C15H18O9
Mw 342.09508217
CAS RN 14364-08-0
C_ID C00002718 ,
InChIKey WQSDYZZEIBAPIN-UVNNLHDWNA-N
InChICode InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12+,13-,14+,15-/m0/s1
SMILES c1(ccc(c(c1)O)O)/C=C/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus nigra Ref.
PlantaeBegoniaceaeBegonia spp. Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeMyrsinaceaeAnagallis sp. Ref.
PlantaePlantaginaceaeAntirrhinum majus Ref.
PlantaeSolanaceaeBrunfelsia calycina Ref.
PlantaeSolanaceaeCestrum newellii Ref.
PlantaeSolanaceaeDatura knightii Ref.
PlantaeSolanaceaeDatura stramonium Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
PlantaeSolanaceaeSolanum spp. Ref.
--Raphanus Ref.
--Solanum Ref.
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