input word = C00037373

Metabolite InformationStructural formula
Name Khayasin T
Formula C32H40O8
Mw 552.27231825
CAS RN 20098-86-6
C_ID C00037373 ,
InChIKey LWYAUKBIVFFRJL-YCDFVMLKNA-N
InChICode InChI=1S/C32H40O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12,16,20-21,23,27-28H,9,11,13-15H2,1-7H3/b17-8+/t20-,21+,23+,27+,28-,31-,32-/m1/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3C(=C4[C@@](CC3)([C@@H](OC(=O)C4)c3ccoc3)C)C[C@@H]1C2=O)C)CC(=O)OC)(C)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCipadessa baccifera (Roth) Miq. Ref.
PlantaeMeliaceaeKhaya anthotheca Ref.
PlantaeMeliaceaeKhaya senegalensis L. Ref.
PlantaeMeliaceaeSwietenia mahagoni Ref.
PlantaeMeliaceaeToona ciliata Ref.
PlantaeMeliaceaeXylocarpus granatum Ref.
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