input word = C00004527

Metabolite InformationStructural formula
Name Tricetin 7-glucoside-3'-[6''-(3-hydroxy-3-methylglutaryl)glucoside
Formula C33H38O21
Mw 770.19055828
CAS RN 151750-87-7
C_ID C00004527 ,
InChIKey NIQXVLDEQKFYMK-KSQNSAMZNA-N
InChICode InChI=1S/C33H38O21/c1-33(48,7-21(38)39)8-22(40)49-10-20-26(43)28(45)30(47)32(54-20)52-18-3-11(2-15(37)24(18)41)16-6-14(36)23-13(35)4-12(5-17(23)51-16)50-31-29(46)27(44)25(42)19(9-34)53-31/h2-6,19-20,25-32,34-35,37,41-48H,7-10H2,1H3,(H,38,39)/t19-,20+,25-,26-,27+,28+,29-,30-,31-,32-,33+/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C[C@](CC(=O)O)(O)C)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJubulaceaeFrullania polysticta Ref.
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