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 [C@H]12[C@@](CC[C@@]3(C1=CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(C[C@@H]([C@@H](C3(C)C)O)O)C)C)C)([C@@](CC2)([C@@H](C(=O)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria emarginella Ref.
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