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 c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)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)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMarchantiaceaeMarchantia polymorpha Ref.
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