input word = C00020799

Metabolite InformationStructural formula
Name Involucratolactone
8alpha-Hydroxy-11,13-dihydrodehydrocostuslactone
Formula C15H20O3
Mw 248.1412445
CAS RN 81421-77-4
C_ID C00020799 ,
InChIKey MHUPGVCFEGYWMI-UAEZWZCONA-N
InChICode InChI=1S/C15H20O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h9-14,16H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-/m0/s1
SMILES [C@@H]12[C@@H]([C@H]3[C@@H]([C@H](CC1=C)O)[C@@H](C(=O)O3)C)C(=C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea canariensis Ref.
PlantaeAsteraceaeSaussurea involucrata Ref.
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