input word = C00004454

Metabolite InformationStructural formula
Name Tricetin 7,3'-diglucuronide
Formula C27H26O19
Mw 654.10682865
CAS RN 107721-49-3
C_ID C00004454 ,
InChIKey UGZWTXLNQDTBED-DQMXYDLTNA-N
InChICode InChI=1S/C27H26O19/c28-8-3-7(42-26-20(36)16(32)18(34)22(45-26)24(38)39)4-12-14(8)9(29)5-11(43-12)6-1-10(30)15(31)13(2-6)44-27-21(37)17(33)19(35)23(46-27)25(40)41/h1-5,16-23,26-28,30-37H,(H,38,39)(H,40,41)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)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]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Rhizomnium magnifolium Ref.
--Rhizomnium pseudopunctatum Ref.
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