input word = C00004694

Metabolite InformationStructural formula
Name Centaureidin
5,7,3'-Trihydroxy-3,6,4'-trimethoxyflavone
Desmethoxycentaureidine
Quercetagetin 3,4',6-trimethyl ether
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one
Formula C18H16O8
Mw 360.08451749
CAS RN 17313-52-9
C_ID C00004694 ,
InChIKey BZXULYMZYPRZOG-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea atrata Ref.
PlantaeAsteraceaeAchillea clavennae Ref.
PlantaeAsteraceaeAchillea multifida Ref.
PlantaeAsteraceaeAjania fruticulosa Ref.
PlantaeAsteraceaeAmbrosia chamissonis Ref.
PlantaeAsteraceaeAnthemis tinctoria Ref.
PlantaeAsteraceaeArtemisia abrotanum Ref.
PlantaeAsteraceaeArtemisia barrelieri Ref.
PlantaeAsteraceaeAsteriscus sericeus Ref.
PlantaeAsteraceaeBaccharis salicina Ref.
PlantaeAsteraceaeBaccharis sarothroides Ref.
PlantaeAsteraceaeBahia xylopoda Ref.
PlantaeAsteraceaeCentaurea bracteata Scop. Ref.
PlantaeAsteraceaeCentaurea jacea Ref.
PlantaeAsteraceaeChrysanthemum cinerariifolium Ref.
PlantaeAsteraceaeEriophyllum confertiflorum Ref.
PlantaeAsteraceaeEupatorium buniifolium Ref.
PlantaeAsteraceaeGrindelia robusta Ref.
PlantaeAsteraceaeGrindelia tarapacana Ref.
PlantaeAsteraceaeIva frutescens Ref.
PlantaeAsteraceaePluchea sagittalis Ref.
PlantaeAsteraceaePolymnia fruticosa Ref.
PlantaeAsteraceaeStevia berlandieri Ref.
PlantaeAsteraceaeTanacetum microphyllum Ref.
PlantaeAsteraceaeTanacetum parthenium Ref.
PlantaeBetulaceaeAlnus glutinosa Ref.
PlantaeCrassulaceaeAeonium spp. Ref.
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OrganismGrindelia robusta
ReferenceTimmermann,Z.Naturforsch.,49c,(1994),395