input word = C00029283

Metabolite InformationStructural formula
Name (-)-Isopanduratin A
Formula C26H30O4
Mw 406.21440945
CAS RN 1052164-89-2
C_ID C00029283 ,
InChIKey ZUGJZDPPJGJZPY-SQIWIYQBNA-N
InChICode InChI=1S/C26H30O4/c1-16(2)10-11-21-17(3)12-19(18-8-6-5-7-9-18)13-22(21)26(29)25-23(28)14-20(27)15-24(25)30-4/h5-10,12,14-15,19,21-22,27-28H,11,13H2,1-4H3/t19-,21-,22+/m0/s1
SMILES c1(cc(c(c(c1)OC)C(=O)[C@@H]1C[C@H](C=C([C@@H]1CC=C(C)C)C)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeBoesenbergia rotunda (LINN.) MANSF. Ref.
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