input word = C00038659

Metabolite InformationStructural formula
Name Buddlenol C
Formula C32H38O12
Mw 614.23632668
CAS RN 97465-73-1
C_ID C00038659 ,
InChIKey FITCDKVKQIBVRK-UHFFFAOYNA-N
InChICode InChI=1S/C32H38O12/c1-37-22-8-16(6-7-21(22)34)28(35)27(13-33)44-32-25(40-4)11-18(12-26(32)41-5)31-20-15-42-30(19(20)14-43-31)17-9-23(38-2)29(36)24(10-17)39-3/h6-12,19-20,27-28,30-31,33-36H,13-15H2,1-5H3/t19-,20-,27-,28-,30+,31+/m0/s1
SMILES COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(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