input word = C00014112

Metabolite InformationStructural formula
Name 8-C-Glucosylchromone 2'-O-p-methoxycoumaroyl 5-methyl-7-hydroxy 2-acetonyl
Formula C29H30O11
Mw 554.1788118
CAS RN 111950-77-7
C_ID C00014112 ,
InChIKey CSCCCNVXVAHHHY-NISFFVLUNA-N
InChICode InChI=1S/C29H30O11/c1-14-10-19(32)24(27-23(14)20(33)12-18(38-27)11-15(2)31)28-29(26(36)25(35)21(13-30)39-28)40-22(34)9-6-16-4-7-17(37-3)8-5-16/h4-10,12,21,25-26,28-30,32,35-36H,11,13H2,1-3H3/b9-6+/t21-,25-,26+,28+,29-/m1/s1
SMILES c1(oc2c(c(=O)c1)c(cc(c2[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(cc1)OC)O)C)CC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe excelsa Ref.
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