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@H]1(CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O)C)C)C=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeMyrtaceaeMelaleuca ericifolia Ref.
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OrganismOcimum basilicum
ReferenceMisra, R. C. et al., New Phytologist, 214, (2017), 706-720.