input word = C00012198

Metabolite InformationStructural formula
Name Herbolide A
Formula C17H24O4
Mw 292.16745925
CAS RN 64562-23-8
C_ID C00012198 ,
InChIKey ALAJEHHXYIGXNY-SGNPGRGQNA-N
InChICode InChI=1S/C17H24O4/c1-10-6-5-7-11(2)15(20-13(4)18)9-14-12(3)17(19)21-16(14)8-10/h7-8,12,14-16H,5-6,9H2,1-4H3/b10-8+,11-7+/t12-,14-,15+,16-/m0/s1
SMILES CC(=O)O[C@@H]1C[C@H]2[C@H](C)C(=O)O[C@@H]2/C=C(C)CC/C=C/1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia herba alba Ref.
PlantaeAsteraceaeArtemisia herba-alba Ref.
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