input word = C00033379

Metabolite InformationStructural formula
Name Semialatic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 135630-76-1
C_ID C00033379 ,
InChIKey AXOVXHLTUALGCW-KDSHZURMNA-N
InChICode InChI=1S/C30H46O4/c1-19(8-7-9-20(2)25(31)32)21-12-14-27(5)22(21)10-11-24-28(27,6)15-13-23-26(3,4)30(33)17-16-29(23,24)18-34-30/h9,21-24,33H,1,7-8,10-18H2,2-6H3,(H,31,32)/b20-9+/t21-,22-,23+,24+,27-,28-,29+,30?/m1/s1
SMILES C=C(CC/C=C(C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeRhus javanica Ref.
PlantaeSimaroubaceaeBrucea javanica Ref.
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OrganismBrucea javanica
ReferenceLEE, et al., Chem Pharm Bull, 49, (2001), 1024