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 CC(=O)O[C@H]1C(O)[C@@H](O)C(C)O[C@H]1OC1[C@H](Oc2cc(O)c3c(c2)OC(c2ccccc2)CC3=O)OC(CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNierembergia hippomanica Ref.
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