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 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)OC(=O)C)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNierembergia hippomanica Ref.
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OrganismNierembergia hippomanica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 235,Flavanones and dihydroflavonols

Ripperger,Phytochem.,20,(1981),1757