input word = C00003437

Metabolite InformationStructural formula
Name Ineketone
Formula C20H30O3
Mw 318.21949482
CAS RN 62574-18-9
C_ID C00003437 ,
InChIKey BWRPYSJNBVBIRP-UIUVJVHJNA-N
InChICode InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1
SMILES C1CC([C@@]2([C@@H](C1)[C@]1(C(=C[C@@](C[C@@H]1O)(C=C)C)C(=O)C2)C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa cv. koshihikari Ref.
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