input word = C00020576

Metabolite InformationStructural formula
Name [3aR-(3aalpha,4alpha,9aalpha,9bbeta)]-4-(Acetyloxy)-3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-azuleno[4,5-b]furan-2,7-dione
Formula C17H18O6
Mw 318.11033831
CAS RN 83117-61-7
C_ID C00020576 ,
InChIKey FTYXVXCMXAENOM-NKSMTTDVNA-N
InChICode InChI=1S/C17H18O6/c1-7-4-12(22-9(3)19)14-8(2)17(21)23-16(14)15-10(6-18)5-11(20)13(7)15/h5,12,14-16,18H,2,4,6H2,1,3H3/t12-,14+,15-,16-/m0/s1
SMILES C1=C([C@H]2C(=C(C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)OC(=O)C)C)C1=O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca mucronata Ref.
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OrganismLactuca mucronata
ReferenceSang,Phytochem.,21,(1982),1163