input word = C00003979

Metabolite InformationStructural formula
Name Agehoustin B
Formula C22H24O9
Mw 432.14203237
CAS RN 87402-97-9
C_ID C00003979 ,
InChIKey CNWLLDUECPZGHJ-UHFFFAOYSA-N
InChICode InChI=1S/C22H24O9/c1-24-15-8-11(18(26-3)22(30-7)20(15)28-5)13-9-12(23)17-14(31-13)10-16(25-2)19(27-4)21(17)29-6/h8-10H,1-7H3
SMILES COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)c(OC)c(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum houstonianum Ref.
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