input word = C00021967

Metabolite InformationStructural formula
Name Aquatolide
Formula C15H18O3
Mw 246.12559444
CAS RN 125132-06-1
C_ID C00021967 ,
InChIKey JGSDEQLPLHCECO-LGDXSPLYNA-N
InChICode InChI=1S/C15H18O3/c1-7-5-4-6-15-9(11(7)16)8-10(15)12(14(8,2)3)18-13(15)17/h5,8-10,12H,4,6H2,1-3H3/t8-,9+,10-,12-,15?/m0/s1
SMILES CC1=CCC[C@@]23C(=O)O[C@H]4[C@@H]2[C@@H](C3C1=O)C4(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAsteriscus aquaticus Ref.
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OrganismAsteriscus aquaticus
ReferenceSan Feliciano,Tetrahedron Lett.,30,(1989),2851