input word = C00001096

Metabolite InformationStructural formula
Name Santin
Formula C18H16O7
Mw 344.08960287
CAS RN 27782-63-4
C_ID C00001096 ,
InChIKey DWZAJFZEYZIHPO-UHFFFAOYSA-N
InChICode InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(cc1)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea atrata Ref.
PlantaeAsteraceaeAchillea latiloba Ref.
PlantaeAsteraceaeAchillea multifida Ref.
PlantaeAsteraceaeAgeratina espinosara Ref.
PlantaeAsteraceaeAjania fruticulosa Ref.
PlantaeAsteraceaeAnthemis tinctoria Ref.
PlantaeAsteraceaeArtemisia barrelieri Ref.
PlantaeAsteraceaeBrickellia eupatorioides Ref.
PlantaeAsteraceaeEupatorium cannabinum Ref.
PlantaeAsteraceaeGrindelia glutinosa Ref.
PlantaeAsteraceaeGrindelia squarrosa Ref.
PlantaeAsteraceaeGrindelia tarapacana Ref.
PlantaeAsteraceaePerityle lemmonii Ref.
PlantaeAsteraceaeStevia berlandieri Ref.
PlantaeAsteraceaeTanacetum microphyllum Ref.
PlantaeAsteraceaeTanacetum parthenium Ref.
PlantaeAsteraceaeTanacetum vulgare Ref.
PlantaeBetulaceaeAlnus glutinosa Ref.
PlantaeBetulaceaeAlnus japonica Ref.
PlantaeBetulaceaeBetula ermanii Ref.
PlantaeCistaceaeCistus albanicus Ref.
PlantaeCrassulaceaeAeonium spp. Ref.
PlantaeDidiereaceaeAlluaudia sp. Ref.
PlantaeJuglandaceaeJuglans cinerea Ref.
PlantaeLabiataeSalvia pedicellata Ref.
PlantaePlantaginaceaeDigitalis orientalis Ref.
PlantaeRutaceaeDrummondita hassellii Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana laxiflora Ref.
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OrganismGrindelia tarapacana
ReferenceWollemweber,Naturforsch.,48c,(1993),420