input word = C00020993

Metabolite InformationStructural formula
Name Clementein C
Formula C21H28O7
Mw 392.18350325
CAS RN 106533-05-5
C_ID C00020993 ,
InChIKey ASHNISLKCRABOJ-QKUOFTCZNA-N
InChICode InChI=1S/C21H28O7/c1-9-5-15(26-19(24)10(2)8-22)17-18(16-12(4)14(23)6-13(9)16)27-20(25)21(17)7-11(3)28-21/h11-18,22-23H,1-2,5-8H2,3-4H3/t11-,12-,13+,14+,15+,16+,17+,18+,21+/m1/s1
SMILES [C@@H]12[C@@H]([C@H]3[C@H]([C@H](CC1=C)OC(=O)C(=C)CO)[C@@]1(C(=O)O3)O[C@@H](C1)C)[C@@H]([C@H](C2)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea clementei Ref.
zoom in



OrganismCentaurea clementei
ReferenceCollado,Tetrahedron,42,(1986),3611