input word = C00061547

Metabolite InformationStructural formula
Name 5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosiduronic acid
Formula C23H22O14
Mw 522.10095541
CAS RN 349607-88-1
C_ID C00061547
InChIKey TTZIHUKKIDPTQT-USFRMQJTSA-N
InChICode InChI=1S/C23H22O14/c1-33-9-4-3-7(5-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)/t16-,17-,18+,21-,23+/m0/s1
SMILES COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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OrganismSpinacia oleracea
Referencehttps://doi.org/10.1021/jf0013712