input word = C00004310

Metabolite InformationStructural formula
Name Luteolin 7-glucuronosyl-(1->2)-glucuronide-4'-glucuronide
Formula C33H34O24
Mw 814.14400202
CAS RN 101849-03-0
C_ID C00004310 ,
InChIKey AEYXZGCDWDUIKX-ILGWCWAXNA-N
InChICode InChI=1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(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](OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O[C@@H]6O[C@@H](C(=O)O)[C@@H](O)C(O)C6O)c(O)c5)oc4c3)OC(C(=O)O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSecale cereale Ref.
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