input word = C00053595

Metabolite InformationStructural formula
Name Oleanolic aldehyde
Formula C30H48O2
Mw 440.36543078
CAS RN 17020-22-3
C_ID C00053595
InChIKey STHRNDDZYFUIDO-OSQDELBUSA-N
InChICode InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
SMILES CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOcimum basilicum Ref.
zoom in