input word = C00017519

Metabolite InformationStructural formula
Name 1-Acetoxydihydroisochromolaenin
Formula C17H20O3
Mw 272.1412445
CAS RN 62502-11-8
C_ID C00017519 ,
InChIKey XDFMDORPDZXRFS-UHFFFAOYNA-N
InChICode InChI=1S/C17H20O3/c1-9-5-13-16(15(6-9)20-12(4)18)10(2)7-14-17(13)11(3)8-19-14/h5,8,10,15-16H,1,6-7H2,2-4H3/t10-,15+,16-/m1/s1
SMILES C1(=C)C[C@@H]([C@H]2C(=C1)c1c(C[C@H]2C)occ1C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChromolaena spp. Ref.
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OrganismChromolaena spp.
ReferenceBohlmann,Chem.Ber.,110,(1977),487