input word = C00002787

Metabolite InformationStructural formula
Name (-)-Alkannin
Alkannin
Formula C16H16O5
Mw 288.09977362
CAS RN 517-88-4
C_ID C00002787 ,
InChIKey NEZONWMXZKDMKF-UEQNJFAPNA-N
InChICode InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
SMILES c1cc(c2c(c1O)C(=O)C=C(C2=O)[C@H](CC=C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStaphylococcaceaeStaphylococcus aureus Ref.
PlantaeBoraginaceaeAlkanna tinctoria Ref.
PlantaeBoraginaceaeArnebia euchroma Ref.
PlantaeBoraginaceaeArnebia nobilis Ref.
PlantaeBoraginaceaeMacrotomia cephalotes Ref.
PlantaeBoraginaceaePlagiobothrys arizonicus Ref.
--Alkana tinctoria Ref.
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OrganismPlagiobothrys arizonicus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43