input word = C00013612

Metabolite InformationStructural formula
Name Apigenin 7-Glucosyl-(1->2)-glucuronide-4'-glucuronide
Formula C33H36O22
Mw 784.16982284
CAS RN
C_ID C00013612 ,
InChIKey QHUYAVQUOQPHFT-VXRAIEBUNA-N
InChICode InChI=1S/C33H36O22/c34-8-16-18(37)19(38)24(43)32(52-16)55-28-23(42)22(41)27(30(47)48)54-33(28)50-11-5-12(35)17-13(36)7-14(51-15(17)6-11)9-1-3-10(4-2-9)49-31-25(44)20(39)21(40)26(53-31)29(45)46/h1-7,16,18-28,31-35,37-44H,8H2,(H,45,46)(H,47,48)/t16-,18-,19+,20+,21+,22+,23+,24-,25-,26+,27-,28+,31-,32+,33-/m1/s1
SMILES O=C(O)C1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5OC(C(=O)O)[C@@H](O)[C@H](O)C5O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc4o3)cc2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
zoom in