input word = C00013313

Metabolite InformationStructural formula
Name Isothymusin
5,8-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
Formula C17H14O7
Mw 330.0739528
CAS RN 98755-25-0
C_ID C00013313 ,
InChIKey IODGQWWTJYDCLN-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3
SMILES c12c(c(c(c(c1O)OC)OC)O)oc(cc2=O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAgastache barberi Ref.
PlantaeLabiataeNepeta spp. Ref.
PlantaeLabiataeOcimum americanum cv.Sacred Ref.
PlantaeLabiataeOcimum gratissimum Ref.
PlantaeLabiataeOcimum selloi Benth. Ref.
PlantaeLabiataeOcimum tenuiflorum L. Ref.
PlantaeLamiaceaeBecium grandiflorum Ref.
PlantaeRosaceaePrunus cerasus Ref.
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OrganismOcimum gratissimum
ReferenceVieira,Biochem.Syst.Ecol.,29,(2001),287