input word = C00000687

Metabolite InformationStructural formula
Name Lappaol A
Formula C30H32O9
Mw 536.20463262
CAS RN 62333-08-8
C_ID C00000687 ,
InChIKey PYLYQTVVQXPBIJ-SRMBUHQBNA-N
InChICode InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1
SMILES c1c(cc2c(c1OC)O[C@@H]([C@H]2CO)c1cc(c(cc1)O)OC)C[C@@H]1[C@H](C(=O)OC1)Cc1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
PlantaeAsteraceaeCentaurea americana Ref.
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