input word = C00056402

Metabolite InformationStructural formula
Name Isodihydrocostunolide
Formula C15H22O2
Mw 234.16197995
CAS RN 1059181-70-2
C_ID C00056402
InChIKey DCNAVROPXHTJGM-DKWJYAAYSA-N
InChICode InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h9-10,13-14H,3-8H2,1-2H3/b11-9+/t10-,13+,14+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)CCC[C@H](C)CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea lappa Ref.
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OrganismSaussurea lappa
ReferenceRao, A.S. et al., Tetrahedron, 1960, 9, 275-283 (Costunolide, isol, struct)