input word = C00063417

Metabolite InformationStructural formula
Name 7-[[2-O-D-Apio-beta-D-furanosyl-3-O-(2-carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
Formula C29H30O18
Mw 666.14321416
CAS RN 930087-39-1
C_ID C00063417
InChIKey AJKGEOMEUVLXLL-CQRLEKJLSA-N
InChICode InChI=1S/C29H30O18/c30-8-19-23(39)24(46-21(38)7-20(36)37)25(47-28-26(40)29(41,9-31)10-42-28)27(45-19)43-12-4-15(34)22-16(35)6-17(44-18(22)5-12)11-1-2-13(32)14(33)3-11/h1-6,19,23-28,30-34,39-41H,7-10H2,(H,36,37)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1
SMILES O=C(O)CC(=O)OC1C(O)C(CO)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C1OC1OCC(O)(CO)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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