input word = C00063418

Metabolite InformationStructural formula
Name 7-[[2-O-D-Apio-beta-D-furanosyl-6-O-(2-carboxyacetyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C30H32O18
Mw 680.15886422
CAS RN 930087-40-4
C_ID C00063418
InChIKey IGMXPYZQDLGVQE-NJCUNIDNSA-N
InChICode InChI=1S/C30H32O18/c1-42-18-4-12(2-3-14(18)32)17-7-16(34)23-15(33)5-13(6-19(23)46-17)45-28-26(48-29-27(40)30(41,10-31)11-44-29)25(39)24(38)20(47-28)9-43-22(37)8-21(35)36/h2-7,20,24-29,31-33,38-41H,8-11H2,1H3,(H,35,36)/t20-,24-,25+,26-,27+,28-,29+,30-/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
zoom in