input word = C00028176

Metabolite InformationStructural formula
Name Dianthin A
Formula C33H43N7O8
Mw 665.3173114
CAS RN 219808-29-4
C_ID C00028176 ,
InChIKey NJZRYHHNWXXWSJ-UHFFFAOYNA-N
InChICode InChI=1S/C33H43N7O8/c1-4-18(2)28-33(48)36-19(3)29(44)37-24(15-21-10-12-22(41)13-11-21)31(46)39-25(16-26(34)42)32(47)38-23(14-20-8-6-5-7-9-20)30(45)35-17-27(43)40-28/h5-13,18-19,23-25,28,41H,4,14-17H2,1-3H3,(H2,34,42)(H,35,45)(H,36,48)(H,37,44)(H,38,47)(H,39,46)(H,40,43)/t18-,19+,23+,24-,25+,28-/m1/s1
SMILES CCC(C)C1NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus Ref.
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