input word = C00021076

Metabolite InformationStructural formula
Name Cumanin diacetate
Formula C19H26O6
Mw 350.17293856
CAS RN 6605-89-6
C_ID C00021076 ,
InChIKey ARVHQOSAYASGDI-NDGDFZCTNA-N
InChICode InChI=1S/C19H26O6/c1-9-6-15-13(10(2)18(22)25-15)8-19(5)14(9)7-16(23-11(3)20)17(19)24-12(4)21/h9,13-17H,2,6-8H2,1,3-5H3/t9-,13+,14-,15+,16-,17-,19-/m0/s1
SMILES [C@@H]12[C@](C[C@H]3[C@@H](C[C@@H]1C)OC(=O)C3=C)([C@H]([C@H](C2)OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia psilotachya Ref.
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