input word = C00004298

Metabolite InformationStructural formula
Name Luteolin 7,4'-diglucuronide
Formula C27H26O18
Mw 638.11191403
CAS RN 53965-09-6
C_ID C00004298 ,
InChIKey PSWKIAQYCLNJDW-DQMXYDLTNA-N
InChICode InChI=1S/C27H26O18/c28-9-3-7(1-2-12(9)43-27-21(36)17(32)19(34)23(45-27)25(39)40)13-6-11(30)15-10(29)4-8(5-14(15)42-13)41-26-20(35)16(31)18(33)22(44-26)24(37)38/h1-6,16-23,26-29,31-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21+,22+,23-,26+,27+/m0/s1
SMILES O=C(O)C1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)C(O)C5O)cc4o3)cc2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMarchantiaceaeMarchantia polymorpha Ref.
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