input word = C00050057

Metabolite InformationStructural formula
Name Delavayin C
Formula C44H53N7O10
Mw 839.38539097
CAS RN 186595-21-1
C_ID C00050057 ,
InChIKey FTMUUEDUOVORQE-VYQUTTNHNA-N
InChICode InChI=1S/C44H53N7O10/c1-25(2)38-44(61)51-20-3-5-35(51)41(58)45-24-37(55)46-32(21-26-7-13-29(52)14-8-26)39(56)47-33(22-27-9-15-30(53)16-10-27)40(57)48-34(23-28-11-17-31(54)18-12-28)43(60)50-19-4-6-36(50)42(59)49-38/h7-18,25,32-36,38,52-54H,3-6,19-24H2,1-2H3,(H,45,58)(H,46,55)(H,47,56)(H,48,57)(H,49,59)/t32-,33-,34-,35-,36-,38-/m0/s1
SMILES N1C(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1)Cc1ccc(cc1)O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCC3)C(C)C)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria delavayi Ref.
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