input word = C00003981

Metabolite InformationStructural formula
Name Agehoustin C
Formula C22H24O10
Mw 448.13694699
CAS RN 97564-57-3
C_ID C00003981 ,
InChIKey KRJLTJWSTDCFMW-UHFFFAOYSA-N
InChICode InChI=1S/C22H24O10/c1-25-13-8-10(16(26-2)15(24)17(13)27-3)12-9-11(23)14-18(28-4)20(29-5)22(31-7)21(30-6)19(14)32-12/h8-9,24H,1-7H3
SMILES c1(c(c(c2c(c1OC)oc(cc2=O)c1cc(c(c(c1OC)O)OC)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum houstonianum Ref.
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