input word = C00013622

Metabolite InformationStructural formula
Name Apigenin 7-Glucuronosyl-(1->3)-[2''-p-coumaroylglucuronosyl)-(1->2)-glucuronide]
Formula C42H40O25
Mw 944.18586683
CAS RN
C_ID C00013622 ,
InChIKey VEZCNUXSJSUNJZ-AWXZUVCZNA-N
InChICode InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(47)62-35-28(51)27(50)33(38(56)57)65-41(35)67-36-31(63-40-29(52)25(48)26(49)32(64-40)37(54)55)30(53)34(39(58)59)66-42(36)60-18-11-19(45)24-20(46)13-21(61-22(24)12-18)15-4-8-17(44)9-5-15/h1-13,25-36,40-45,48-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+/t25-,26-,27-,28-,29+,30-,31-,32-,33+,34-,35+,36-,40+,41-,42+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
zoom in