input word = C00024788

Metabolite InformationStructural formula
Name Equisetin
(-)-Equisetin
Formula C22H31NO4
Mw 373.22530849
CAS RN 57749-43-6
C_ID C00024788 ,
InChIKey QNQBPPQLRODXET-HGBNWYJLNA-N
InChICode InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14+,15-,16-,17+,22+/m1/s1
SMILES [C@H]1(C=C[C@@H]2[C@H]([C@]1(/C(=C\1/C(=O)[C@@H](N(C1=O)C)CO)/O)C)CC[C@H](C2)C)/C=C/C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium equiseta Ref.
FungiNectriaceaeFusarium equiseti Ref.
--Equsetum arvense Ref.
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