input word = C00028210

Metabolite InformationStructural formula
Name Discarine X
Formula C33H43N5O4
Mw 573.3315049
CAS RN 164577-53-1
C_ID C00028210 ,
InChIKey ZNUMAFXIQXNMMH-WUKNDPDINA-N
InChICode InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16+/t21-,27+,28+,29-,30+/m1/s1
SMILES c1cc2/C=C/NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](Oc1cc2)C(C)C)NC(=O)[C@H](Cc1c2c([nH]c1)cccc2)N(C)C)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeDiscaria longispina Ref.
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OrganismDiscaria longispina
ReferenceMachado,J.Nat.Prod.,58,(1995),548