input word = C00004459

Metabolite InformationStructural formula
Name Tricetin 3'-methyl ether 7,5'-diglucuronide
Formula C28H28O19
Mw 668.12247872
CAS RN 107668-77-9
C_ID C00004459 ,
InChIKey CVQDTIXQCRHCMN-RKTBPGBWNA-N
InChICode InChI=1S/C28H28O19/c1-42-13-2-7(3-14(16(13)31)45-28-22(37)18(33)20(35)24(47-28)26(40)41)11-6-10(30)15-9(29)4-8(5-12(15)44-11)43-27-21(36)17(32)19(34)23(46-27)25(38)39/h2-6,17-24,27-29,31-37H,1H3,(H,38,39)(H,40,41)/t17-,18-,19-,20-,21+,22+,23+,24-,27+,28+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)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
--Rhizomnium magnifolium Ref.
--Rhizomnium pseudopunctatum Ref.
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