input word = C00012883

Metabolite InformationStructural formula
Name [3aR-(3aalpha,6alpha,8abeta,9aalpha)]-5-[(Acetyloxy)methyl]-3a,4,6,7,8,8a,9,9a-octahydro-6-hydroperoxy-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Formula C17H22O6
Mw 322.14163844
CAS RN 119285-37-9
C_ID C00012883 ,
InChIKey ZAOVUVVHBJNSPP-ZWNSULGMNA-N
InChICode InChI=1S/C17H22O6/c1-9-11-6-13-12(8-21-10(2)18)14(23-20)4-5-17(13,3)7-15(11)22-16(9)19/h11,14-15,20H,1,4-8H2,2-3H3/t11-,14-,15-,17-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OO)C(COC(C)=O)=C3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia artemisioides Ref.
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OrganismAmbrosia artemisioides
ReferenceBhandari,Indian J.Chem.Sect.B.,22,(1983),286