input word = C00005332

Metabolite InformationStructural formula
Name Pendulin
Formula C24H26O12
Mw 506.1424263
CAS RN 14801-84-4
C_ID C00005332 ,
InChIKey ASCBRLGHWVZBMG-VFRGNLSONA-N
InChICode InChI=1S/C24H26O12/c1-31-13-8-12-15(17(27)22(13)32-2)18(28)23(33-3)21(35-12)10-4-6-11(7-5-10)34-24-20(30)19(29)16(26)14(9-25)36-24/h4-8,14,16,19-20,24-27,29-30H,9H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1
SMILES COc1cc2oc(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)cc3)c(OC)c(=O)c2c(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia pendula Ref.
PlantaeSaxifragaceaeChrysosplenium flagelliferum Ref.
PlantaeSaxifragaceaeChrysosplenium tetrandrum Ref.
zoom in