input word = C00040825

Metabolite InformationStructural formula
Name 3-Oxo-tirucalla-7,24-dien-21-al
Formula C30H46O2
Mw 438.34978071
CAS RN 59781-40-7
C_ID C00040825 ,
InChIKey FKSBBGKUFRQNEB-ZBIHXTBHNA-N
InChICode InChI=1S/C30H46O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,19,21-23,25H,8,10,12-18H2,1-7H3/t21-,22+,23+,25+,28-,29+,30-/m1/s1
SMILES CC(C)=CCC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeOwenia cepiodora Ref.
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OrganismOwenia cepiodora
ReferenceMulholland,Phytochem.,49,(1998),2457