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 c1cc2[C@@H](CNC(=O)[C@@H](NC(=O)[C@@H]([C@@H](Oc1cc2)C(C)C)NC(=O)[C@H]([C@H](CC)C)N(C)C)Cc1c[nH]c2c1cccc2)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeDiscaria febrifuga Ref.
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