input word = C00021932

Metabolite InformationStructural formula
Name Neohelenaline
Mexicanin D
Formula C15H18O4
Mw 262.12050906
CAS RN 5945-70-0
C_ID C00021932 ,
InChIKey GGHIIBMYRQUBKR-XISZXTQZNA-N
InChICode InChI=1S/C15H18O4/c1-6-4-11-13(8(3)15(18)19-11)14(17)9-5-10(16)7(2)12(6)9/h6,9,11,13-14,17H,3-5H2,1-2H3/t6-,9+,11-,13+,14-/m1/s1
SMILES C12=C(C(=O)C[C@@H]1[C@H]([C@@H]1[C@@H](C[C@H]2C)OC(=O)C1=C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium mexicanum Ref.
PlantaeAsteraceaeHelenium ooclinium Ref.
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OrganismHelenium mexicanum
ReferenceHerz,J. Am. Chem. Soc.,82,(1960),2276