input word = C00022677

Metabolite InformationStructural formula
Name 14-Acetoxy-5alpha-hydroperoxy-isoalantolactone
Formula C17H22O6
Mw 322.14163844
CAS RN 112823-69-5
C_ID C00022677 ,
InChIKey VQRSIAHNFORBNJ-AHIHGCRANA-N
InChICode InChI=1S/C17H22O6/c1-10-5-4-6-16(9-21-12(3)18)8-14-13(7-17(10,16)23-20)11(2)15(19)22-14/h13-14,20H,1-2,4-9H2,3H3/t13-,14-,16-,17-/m1/s1
SMILES C1CC(=C)[C@]2([C@](C1)(C[C@@H]1[C@H](C2)C(=C)C(=O)O1)COC(=O)C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus africanus Ref.
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OrganismEriocephalus africanus
ReferenceZdero,Phytochem.,26,(1987),2763