input word = C00013071

Metabolite InformationStructural formula
Name [3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-3a,5,5a,9,9a,9b-Hexahydro-9-hydroperoxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
4alpha-Hydroperoxydesoxyvulgarin
Formula C15H20O5
Mw 280.13107375
CAS RN 72505-77-2
C_ID C00013071 ,
InChIKey GPWOVUKAMABICF-ATJSXTKLNA-N
InChICode InChI=1S/C15H20O5/c1-8-9-4-6-14(2)10(16)5-7-15(3,20-18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15-/m0/s1
SMILES C1=C[C@]([C@H]2[C@](C1=O)(CC[C@@H]1[C@@H]2OC(=O)[C@H]1C)C)(C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia judaica Ref.
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