input word = C00013691

Metabolite InformationStructural formula
Name 6-Hydroxyluteolin 6-glucoside-7-[6'''-(3-hydroxy-3-methylglutaryl)glucoside]
7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Formula C33H38O21
Mw 770.19055828
CAS RN 165460-15-1
C_ID C00013691 ,
InChIKey FIZMLXFRUFYIEH-QYDJKOBRNA-N
InChICode InChI=1S/C33H38O21/c1-33(48,7-20(38)39)8-21(40)49-10-19-24(42)27(45)28(46)31(53-19)51-17-6-16-22(14(37)5-15(50-16)11-2-3-12(35)13(36)4-11)25(43)30(17)54-32-29(47)26(44)23(41)18(9-34)52-32/h2-6,18-19,23-24,26-29,31-32,34-36,41-48H,7-10H2,1H3,(H,38,39)/t18-,19+,23+,24+,26-,27-,28+,29+,31+,32-,33-/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1)c(c(c(c2)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[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJubulaceaeFrullania teneriffae Ref.
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