input word = C00044490

Metabolite InformationStructural formula
Name 9-Hydroxyhexylitaconic acid
(-)-9-Hydroxyhexylitaconic acid
Formula C12H20O5
Mw 244.13107375
CAS RN 723302-29-2
C_ID C00044490 ,
InChIKey QSAIBULZNVPLAJ-UHFFFAOYNA-N
InChICode InChI=1S/C12H20O5/c1-8(13)6-4-5-7-10(12(16)17-3)9(2)11(14)15/h8,10,13H,2,4-7H2,1,3H3,(H,14,15)/t8-,10+/m0/s1
SMILES [C@@H](C(=O)OC)(CCCC[C@@H](O)C)C(=C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiApiosporaceaeApiospora montagnei Ref.
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