input word = C00011394

Metabolite InformationStructural formula
Name 11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,11-dodecatriene-1,5,10-triol 1-acetate
Formula C19H30O6
Mw 354.20423869
CAS RN 87450-31-5
C_ID C00011394 ,
InChIKey XYDCQTVQGVBJLE-WDFNUXDUNA-N
InChICode InChI=1S/C19H30O6/c1-13(2)19(23)7-6-14(3)10-18(22)11-17(12-25-16(5)21)8-9-24-15(4)20/h8,10,18-19,22-23H,1,6-7,9,11-12H2,2-5H3/b14-10+,17-8-/t18-,19+/m1/s1
SMILES C=C(C)C(O)CC/C(C)=C/C(O)C/C(=C/COC(C)=O)COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea hispida Ref.
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