input word = C00038660

Metabolite InformationStructural formula
Name Buddlenol D
Formula C33H40O13
Mw 644.24689137
CAS RN 97465-75-3
C_ID C00038660 ,
InChIKey CQPUHIMEOUJAQQ-UHFFFAOYNA-N
InChICode InChI=1S/C33H40O13/c1-38-21-7-16(8-22(39-2)29(21)36)28(35)27(13-34)46-33-25(42-5)11-18(12-26(33)43-6)32-20-15-44-31(19(20)14-45-32)17-9-23(40-3)30(37)24(10-17)41-4/h7-12,19-20,27-28,31-32,34-37H,13-15H2,1-6H3/t19-,20+,27-,28+,31-,32-/m0/s1
SMILES COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(O)c(OC)c5)OCC34)cc2OC)cc(OC)c1O
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