input word = C00053126

Metabolite InformationStructural formula
Name Cycro-DOPA-5-glucoside
(2S)-cyclo-Dopa 5-O-glucoside
Formula C15H19NO9
Mw 357.10598121
CAS RN 71242-23-4
C_ID C00053126
InChIKey PXMFPPFHRQZIHO-OLCQZNMOSA-N
InChICode InChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)/t7-,10+,11+,12-,13+,15+/m0/s1
SMILES O=C(O)[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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OrganismSpinacia oleracea
ReferenceWatanabe, S. et al., PLoS ONE, 13 (2018), e0203656.