input word = C00004311

Metabolite InformationStructural formula
Name Luteolin 7,3',4'-triglucuronide
Formula C33H34O24
Mw 814.14400202
CAS RN 53965-10-9
C_ID C00004311 ,
InChIKey NNXAVSQPQYOEPA-JCVBDSOZNA-N
InChICode InChI=1S/C33H34O24/c34-9-4-8(51-31-22(42)16(36)19(39)25(55-31)28(45)46)5-14-15(9)10(35)6-12(52-14)7-1-2-11(53-32-23(43)17(37)20(40)26(56-32)29(47)48)13(3-7)54-33-24(44)18(38)21(41)27(57-33)30(49)50/h1-6,16-27,31-34,36-44H,(H,45,46)(H,47,48)(H,49,50)/t16-,17+,18-,19-,20-,21-,22+,23-,24+,25-,26-,27+,31+,32+,33+/m0/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)cc4o3)cc2O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMarchantiaceaeMarchantia polymorpha Ref.
zoom in