input word = C00034839

Metabolite InformationStructural formula
Name Emarginellic acid
(-)-Emarginellic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 902136-20-3
C_ID C00034839 ,
InChIKey JWQDJXFGFNQZNP-YASWKDPFNA-N
InChICode InChI=1S/C30H48O5/c1-17(24(33)34)30(35)13-10-19-18-8-9-22-26(4)16-20(31)23(32)25(2,3)21(26)11-12-29(22,7)27(18,5)14-15-28(19,30)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21+,22-,23+,26+,27-,28-,29-,30-/m1/s1
SMILES CC(C(=O)O)[C@]1(O)CC[C@@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria emarginella Ref.
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OrganismCrotalaria emarginella
ReferenceAhmed,Phytochem.,67,(2006),956