input word = C00040605

Metabolite InformationStructural formula
Name Ursolic aldehyde
Ursolaldehyde
3beta-Hydroxyurs-12-en-28-aldehyde
Formula C30H48O2
Mw 440.36543078
CAS RN 19132-81-1
C_ID C00040605 ,
InChIKey VLFUANNVMXKBPF-FFNLIELZNA-N
InChICode InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
SMILES C[C@H]1[C@H](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]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeMyrtaceaeMelaleuca ericifolia Ref.
zoom in