input word = C00028208

Metabolite InformationStructural formula
Name Discarine K
Formula C33H45N5O5
Mw 591.34206958
CAS RN 109175-41-9
C_ID C00028208 ,
InChIKey MMMSPIBCDFEOIH-UHFFFAOYNA-N
InChICode InChI=1S/C33H45N5O5/c1-7-20(4)29(38(5)6)33(42)37-28-30(19(2)3)43-23-14-12-21(13-15-23)27(39)18-35-31(40)26(36-32(28)41)16-22-17-34-25-11-9-8-10-24(22)25/h8-15,17,19-20,26-30,34,39H,7,16,18H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)/t20-,26-,27+,28+,29-,30-/m0/s1
SMILES CCC(C)C(C(=O)NC1C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCC(O)c2ccc(cc2)OC1C(C)C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeDiscaria febrifuga Ref.
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