input word = C00059648

Metabolite InformationStructural formula
Name Megastigmatrienone
Formula C13H18O
Mw 190.1357652
CAS RN 13215-88-8
C_ID C00059648
InChIKey CBQXHTWJSZXYSK-DVIJZSFDSA-N
InChICode InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3;InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7+;InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7-
SMILES CC=CC=C1C(C)=CC(=O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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