input word = C00031983

Metabolite InformationStructural formula
Name Longicalycinin A
Formula C34H37N5O6
Mw 611.27438395
CAS RN 853996-08-4
C_ID C00031983 ,
InChIKey CWNYOXLYNGDTSL-UHFFFAOYNA-N
InChICode InChI=1S/C34H37N5O6/c40-25-15-13-24(14-16-25)20-28-34(45)39-17-7-12-29(39)33(44)37-26(18-22-8-3-1-4-9-22)31(42)35-21-30(41)36-27(32(43)38-28)19-23-10-5-2-6-11-23/h1-6,8-11,13-16,26-29,40H,7,12,17-21H2,(H,35,42)(H,36,41)(H,37,44)(H,38,43)/t26-,27-,28+,29+/m0/s1
SMILES C1(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2N(C(=O)[C@H](N1)Cc1ccc(cc1)O)CCC2)Cc1ccccc1)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus var.longicalycinus (MAXIM.) WILL Ref.
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