input word = C00045861

Metabolite InformationStructural formula
Name Discarene D
Formula C32H33N3O4
Mw 523.24710656
CAS RN 357641-20-4
C_ID C00045861 ,
InChIKey NXIUUPIVEHYUQL-BDVIRPKYNA-N
InChICode InChI=1S/C32H33N3O4/c1-22(2)13-18-28(36)35-29-30(25-11-7-4-8-12-25)39-26-16-14-23(15-17-26)19-20-33-31(37)27(34-32(29)38)21-24-9-5-3-6-10-24/h3-20,22,27,29-30H,21H2,1-2H3,(H,33,37)(H,34,38)(H,35,36)/b18-13+,20-19+/t27-,29+,30+/m1/s1
SMILES CC(C)/C=C/C(=O)NC1C(=O)NC(Cc2ccccc2)C(=O)N/C=C/c2ccc(cc2)OC1c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeDiscaria americana Ref.
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OrganismDiscaria americana
ReferenceGiacomelli,J.Nat.Prod.,64,(2001),997