input word = C00046128

Metabolite InformationStructural formula
Name Merilactone
(+)-Merilactone
Formula C19H28O3
Mw 304.20384476
CAS RN 330660-77-0
C_ID C00046128 ,
InChIKey JHDIVXSJNYQNAD-IMQIORHMNA-N
InChICode InChI=1S/C19H28O3/c1-6-17(3)10-13-7-8-18(4,12(2)20)14-9-16(21)22-15(11-17)19(13,14)5/h6,13-15H,1,7-11H2,2-5H3/t13-,14-,15+,17+,18-,19-/m1/s1
SMILES C1[C@H]2[C@@]3([C@@H]([C@@](C1)(C)C(=O)C)CC(=O)O[C@H]3C[C@](C2)(C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeChiococca alba Ref.
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OrganismChiococca alba
ReferenceBorges-Argaez,J.Nat.Prod.,64,(2001),228