input word = C00008139

Metabolite InformationStructural formula
Name Pinocembrin 7-O-neohesperidoside 2'''-O-acetate
Formula C29H34O14
Mw 606.1948558
CAS RN 79541-04-1
C_ID C00008139 ,
InChIKey GPMWTBPPRMHVGW-ZBCFCOMENA-N
InChICode InChI=1S/C29H34O14/c1-12-22(34)24(36)26(39-13(2)31)28(38-12)43-27-25(37)23(35)20(11-30)42-29(27)40-15-8-16(32)21-17(33)10-18(41-19(21)9-15)14-6-4-3-5-7-14/h3-9,12,18,20,22-30,32,34-37H,10-11H2,1-2H3/t12-,18-,20+,22+,23+,24+,25+,26+,27-,28+,29-/m1/s1
SMILES c1(cc(c2c(c1)O[C@H](CC2=O)c1ccccc1)O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)OC(=O)C)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNierembergia hippomanica Ref.
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