input word = C00000994

Metabolite InformationStructural formula
Name Piperaduncin B
Formula C29H30O8
Mw 506.19406794
CAS RN 155023-55-5
C_ID C00000994 ,
InChIKey KGNWKZGVYSTAOX-AACMFKIINA-N
InChICode InChI=1S/C29H30O8/c1-29(2,34)27-23(18-14-17(28(33)36-4)11-13-19(18)30)25-22(35-3)15-21(32)24(26(25)37-27)20(31)12-10-16-8-6-5-7-9-16/h5-9,11,13-15,23,27,30,32,34H,10,12H2,1-4H3/t23-,27-/m0/s1
SMILES c1c(cc(c(c1)O)[C@H]1c2c(O[C@@H]1C(C)(O)C)c(c(cc2OC)O)C(=O)CCc1ccccc1)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper aduncum Ref.
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