input word = C00008142

Metabolite InformationStructural formula
Name Pinocembrin 7-O-neohesperidoside 6''-O-acetate
Formula C29H34O14
Mw 606.1948558
CAS RN 82206-45-9
C_ID C00008142 ,
InChIKey FJXLUCXTESMUQC-ZBCFCOMENA-N
InChICode InChI=1S/C29H34O14/c1-12-22(33)24(35)26(37)28(39-12)43-27-25(36)23(34)20(11-38-13(2)30)42-29(27)40-15-8-16(31)21-17(32)10-18(41-19(21)9-15)14-6-4-3-5-7-14/h3-9,12,18,20,22-29,31,33-37H,10-11H2,1-2H3/t12-,18-,20-,22-,23-,24-,25-,26-,27+,28-,29+/m0/s1
SMILES CC(=O)OCC1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccccc2)CC3=O)C(O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNierembergia hippomanica Ref.
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