input word = C00059774

Metabolite InformationStructural formula
Name 3-[4-[[6-O-(2-Carboxyacetyl)-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C24H22O13
Mw 518.10604079
CAS RN 137351-20-3
C_ID C00059774
InChIKey DMTYKVUZFFJROU-RSEYPYQYSA-N
InChICode InChI=1S/C24H22O13/c25-11-5-14(26)19-15(6-11)34-8-13(20(19)30)10-1-3-12(4-2-10)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus albus Ref.
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