input word = C00001723

Metabolite InformationStructural formula
Name Ergosine
Formula C30H37N5O5
Mw 547.27946933
CAS RN 561-94-4
C_ID C00001723 ,
InChIKey NESVMZOPWPCFAU-IFVNZMDZNA-N
InChICode InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1
SMILES [C@H]12[C@]3(N([C@H](C(=O)N1CCC2)CC(C)C)C(=O)[C@@](O3)(NC(=O)[C@@H]1C=C2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Ala IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps grohii Ref.
FungiClavicipitaceaeClaviceps purpurea Ref.
PlantaeConvolvulaceaeIpomoea argyrophylla Ref.
--Neotyphodium sp. Ref.
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