input word = C00004301

Metabolite InformationStructural formula
Name Luteolin 3',4'-diglucuronide
Formula C27H26O18
Mw 638.11191403
CAS RN 53527-41-6
C_ID C00004301 ,
InChIKey ICPYZSUYRCEHSC-IBVKDZOJNA-N
InChICode InChI=1S/C27H26O18/c28-8-4-9(29)15-10(30)6-12(41-14(15)5-8)7-1-2-11(42-26-20(35)16(31)18(33)22(44-26)24(37)38)13(3-7)43-27-21(36)17(32)19(34)23(45-27)25(39)40/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)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
PlantaeOphioglossaceaeLunularia cruciata Ref.
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