input word = C00013211

Metabolite InformationStructural formula
Name (+)-Umbellifolide
Umbellifolide
[3aR-(3aalpha,6alpha,7aalpha)]-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione
Formula C15H20O4
Mw 264.13615913
CAS RN 89026-40-4
C_ID C00013211 ,
InChIKey MIRSLSRVCIOISZ-KPZMBHNZNA-N
InChICode InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3/t11-,12-,15-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@](C)(CCCC(C)=O)C(=O)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia umbelliformis Ref.
PlantaeAsteraceaeCalea szyszylowiczii Ref.
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