input word = C00020265

Metabolite InformationStructural formula
Name Isoiresin
Formula C15H22O4
Mw 266.15180919
CAS RN 561-89-7
C_ID C00020265 ,
InChIKey UYMUPLIEBDZVNI-ZPAPVDDVNA-N
InChICode InChI=1S/C15H22O4/c1-14-6-5-12(17)15(2,8-16)11(14)4-3-9-10(14)7-19-13(9)18/h11-12,16-17H,3-8H2,1-2H3/t11-,12+,14-,15-/m0/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@@](C1)(C1=C(CC2)C(=O)OC1)C)(C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeIresine celosioides Ref.
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OrganismIresine celosioides
ReferenceRossmann,Tetrahedron,4,(1958),275