input word = C00004818

Metabolite InformationStructural formula
Name Brickellin
Formula C20H20O9
Mw 404.11073224
CAS RN 90357-63-4
C_ID C00004818 ,
InChIKey USWPTYUGAMOLAB-UHFFFAOYSA-N
InChICode InChI=1S/C20H20O9/c1-24-11-6-9(10(21)7-12(11)25-2)18-20(28-5)17(23)15-13(29-18)8-14(26-3)19(27-4)16(15)22/h6-8,21-22H,1-5H3
SMILES COc1cc(O)c(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia glutinosa Ref.
PlantaeAsteraceaeEupatorium buniifolium Ref.
PlantaeAsteraceaeGutierrezia microcephala Ref.
PlantaeBoraginaceaeCordia verbenacea Ref.
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