input word = C00028094

Metabolite InformationStructural formula
Name Crambescidin 431
Formula C24H37N3O4
Mw 431.27840669
CAS RN 259734-00-4
C_ID C00028094 ,
InChIKey TUPLOUKUQUZSMN-WVPMEKLONA-N
InChICode InChI=1S/C24H37N3O4/c1-4-18-10-6-7-13-23(31-18)15-17-11-12-19-20(21(28)29-5-2)24(14-8-9-16(3)30-24)26-22(25-23)27(17)19/h6,10,16-20H,4-5,7-9,11-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20-,23+,24-/m0/s1
SMILES [C@@]12(O[C@@H](C=CCC1)CC)C[C@@H]1N3C(=N[C@@]4([C@@H]([C@@H]3CC1)C(=O)OCC)CCC[C@@H](O4)C)N2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Monanchora unguiculata Ref.
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