input word = C00012200

Metabolite InformationStructural formula
Name Herbolide C
Formula C17H24O5
Mw 308.16237388
CAS RN 64562-25-0
C_ID C00012200 ,
InChIKey XHKGVBPHNOVOPD-TWGQIWQCNA-N
InChICode InChI=1S/C17H24O5/c1-9-6-5-7-17(4)15(22-17)14-12(10(2)16(19)21-14)8-13(9)20-11(3)18/h6,10,12-15H,5,7-8H2,1-4H3/b9-6-/t10-,12+,13+,14+,15-,17+/m0/s1
SMILES C1[C@H](/C(=C\CC[C@@]2([C@H]([C@H]3[C@H]1[C@@H](C(=O)O3)C)O2)C)/C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia herba alba Ref.
PlantaeAsteraceaeArtemisia herba-alba Ref.
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