input word = C00021075

Metabolite InformationStructural formula
Name Cumanin 3-acetate
Formula C17H24O5
Mw 308.16237388
CAS RN 21956-51-4
C_ID C00021075 ,
InChIKey PRKPJFMBPDIYCG-RKVSDKJUNA-N
InChICode InChI=1S/C17H24O5/c1-8-5-13-11(9(2)16(20)22-13)7-17(4)12(8)6-14(15(17)19)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3/t8-,11+,12-,13+,14-,15-,17-/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3C[C@H](OC(C)=O)[C@H](O)[C@@]3(C)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia psilotachya Ref.
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OrganismAmbrosia psilotachya
ReferenceGeissman,Phytochem.,8,(1969),145