input word = C00008141

Metabolite InformationStructural formula
Name Pinocembrin 7-O-neohesperidoside 4'''-O-acetate
Formula C29H34O14
Mw 606.1948558
CAS RN 80443-11-4
C_ID C00008141 ,
InChIKey VGQNSXXZCTYDRN-RUMSKICGNA-N
InChICode InChI=1S/C29H34O14/c1-12-26(39-13(2)31)24(36)25(37)28(38-12)43-27-23(35)22(34)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+/m0/s1
SMILES CC(=O)O[C@H]1C(C)O[C@@H](OC2[C@H](Oc3cc(O)c4c(c3)OC(c3ccccc3)CC4=O)OC(CO)[C@@H](O)[C@@H]2O)[C@@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNierembergia hippomanica Ref.
zoom in