input word = C00054022

Metabolite InformationStructural formula
Name Acetylacetone
Formula C5H8O2
Mw 100.0524295
CAS RN 123-54-6
C_ID C00054022
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
InChICode InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
SMILES CC(=O)CC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaePinaceaePinus sylvestris Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
--Caffea sp. Ref.
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OrganismMangifera indica
Referencehttps://doi.org/10.1016/S0925-5214(02)00250-8

https://doi.org/10.1021/jf0402633