input word = C00038661

Metabolite InformationStructural formula
Name Buddlenol E
Formula C31H36O11
Mw 584.22576199
CAS RN 97399-82-1
C_ID C00038661 ,
InChIKey DVTIDVKFFJRCAB-UHFFFAOYNA-N
InChICode InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3/t19-,20-,27-,28+,29-,30+/m1/s1
SMILES COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5ccc(O)c(OC)c5)OCC34)cc2OC)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTarenna attenuata Ref.
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OrganismTarenna attenuata
ReferenceYang,J.Nat.Prod.,70,(2007),521