input word = C00055938

Metabolite InformationStructural formula
Name Isoascaridol
Formula C10H16O2
Mw 168.11502975
CAS RN 1619-26-7
C_ID C00055938
InChIKey LEZWCCRTFNBOBU-SGIHWFKDSA-N
InChICode InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3/t7-,8+,9+,10+/m0/s1
SMILES [H][C@]12[C@](O2)(C(C)C)CC[C@]3(C)[C@@]1([H])O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio vulgaris Ref.
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OrganismSenecio vulgaris
ReferenceAndreani, S. et al., Chem. Biodiv., 12, (2015), 752-767.