input word = C00005656

Metabolite InformationStructural formula
Name Spinatoside
Formula C23H22O14
Mw 522.10095541
CAS RN 65039-74-9
C_ID C00005656 ,
InChIKey YIDAQAJEKNRLJS-YXNHPHMWNA-N
InChICode InChI=1S/C23H22O14/c1-33-19-9(25)6-11-12(13(19)26)14(27)20(34-2)18(35-11)7-3-4-10(8(24)5-7)36-23-17(30)15(28)16(29)21(37-23)22(31)32/h3-6,15-17,21,23-26,28-30H,1-2H3,(H,31,32)/t15-,16+,17-,21+,23-/m1/s1
SMILES COc1c(O)cc2oc(-c3ccc(O[C@@H]4OC(C(=O)O)[C@@H](O)C(O)C4O)c(O)c3)c(OC)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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