input word = C00030637

Metabolite InformationStructural formula
Name Lappaol D
Formula C31H36O10
Mw 568.23084737
CAS RN 64855-01-2
C_ID C00030637 ,
InChIKey HDTODGZKAUQBPM-UHFFFAOYNA-N
InChICode InChI=1S/C31H36O10/c1-37-25-8-5-17(12-27(25)39-3)9-20-16-41-31(36)21(20)10-18-11-22(30(35)28(13-18)40-4)23(15-32)29(34)19-6-7-24(33)26(14-19)38-2/h5-8,11-14,20-21,23,29,32-35H,9-10,15-16H2,1-4H3/t20-,21+,23-,29-/m0/s1
SMILES COc1cc(C(O)C(CO)c2cc(CC3C(=O)OCC3Cc3ccc(OC)c(OC)c3)cc(OC)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
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