input word = C00049101

Metabolite InformationStructural formula
Name Aissatone
(-)-Aissatone
Formula C20H26O4
Mw 330.18310932
CAS RN 221198-30-7
C_ID C00049101 ,
InChIKey HCSXVHTVHSOETR-ZQTUEXAGNA-N
InChICode InChI=1S/C20H26O4/c1-11(2)6-7-19-10-13-18(4,5)8-9-20(13,17(19)24)16(23)14(12(3)21)15(19)22/h6,13,22H,7-10H2,1-5H3/t13-,19+,20?/m1/s1
SMILES C1[C@]2(C(=C(C(=O)[C@]3([C@H]1C(CC3)(C)C)C2=O)C(=O)C)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
zoom in