input word = C00029303

Metabolite InformationStructural formula
Name (+)-Isopanduratin A
Isopanduratin A2
Formula C26H30O4
Mw 406.21440945
CAS RN 956404-15-2
C_ID C00029303 ,
InChIKey DIHCGASLQARQMP-XHBFWJIONA-N
InChICode InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(28)14-19(27)15-23(25)30-4/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
SMILES c1(cc(c(c(c1)OC)C(=O)[C@H]1[C@@H](CC=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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OrganismBoesenbergia rotunda (LINN.) MANSF.
ReferenceMorikawa,Chem.Pharm.Bull.,56,(2008),956