input word = C00000688

Metabolite InformationStructural formula
Name Lappaol C
Formula C30H34O10
Mw 554.21519731
CAS RN 64855-00-1
C_ID C00000688 ,
InChIKey BWOAMGHNXHLWMX-UHFFFAOYNA-N
InChICode InChI=1S/C30H34O10/c1-37-25-11-16(4-6-23(25)32)9-20-19(15-40-30(20)36)8-17-10-21(29(35)27(12-17)39-3)22(14-31)28(34)18-5-7-24(33)26(13-18)38-2/h4-7,10-13,19-20,22,28,31-35H,8-9,14-15H2,1-3H3/t19-,20+,22-,28-/m0/s1
SMILES COc1cc(CC2C(=O)OCC2Cc2cc(OC)c(O)c(C(CO)C(O)c3ccc(O)c(OC)c3)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
zoom in