input word = C00047524

Metabolite InformationStructural formula
Name Neoselaginellic acid
(-)-Neoselaginellic acid
Formula C18H24N2O3
Mw 316.17869265
CAS RN 1158820-19-9
C_ID C00047524 ,
InChIKey HVGGIBSRIUYNNK-MFBLYXBTNA-N
InChICode InChI=1S/C18H24N2O3/c1-13(16(21)22)9-10-18(11-12-20(4)17(18)23)14-7-5-6-8-15(14)19(2)3/h5-9H,10-12H2,1-4H3,(H,21,22)/b13-9+/t18-/m0/s1
SMILES c1(ccccc1N(C)C)[C@]1(C(=O)N(CC1)C)C/C=C(/C(=O)O)\C
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
--Selaginella moellendorfii Ref.
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