input word = C00002321

Metabolite InformationStructural formula
Name Casimiroedine
Formula C21H27N3O6
Mw 417.18998562
CAS RN 5853-02-1
C_ID C00002321 ,
InChIKey CSFQQZOIHVWGMN-QAHXJZAKNA-N
InChICode InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20+,21-/m1/s1
SMILES c1ccc(cc1)/C=C/C(=O)N(CCc1cn(cn1)[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCasimiroa edulis Ref.
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OrganismCasimiroa edulis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter31