input word = C00025966

Metabolite InformationStructural formula
Name NPTX 1
Nephilatoxin 1
Formula C29H48N8O5
Mw 588.3747667
CAS RN 119688-54-9
C_ID C00025966 ,
InChIKey ZBWQBTGXGZUFNG-QWVACARCNA-N
InChICode InChI=1S/C29H48N8O5/c30-11-7-14-32-12-4-5-13-33-17-10-26(40)34-15-2-1-3-16-35-29(42)23(19-25(31)39)37-27(41)18-21-20-36-22-8-6-9-24(38)28(21)22/h6,8-9,20,23,32-33,36,38H,1-5,7,10-19,30H2,(H2,31,39)(H,34,40)(H,35,42)(H,37,41)/t23-/m0/s1
SMILES c1(CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNCCCN)c[nH]c2c1c(ccc2)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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OrganismNephila clavata
ReferenceToki,Biomed.Res.,9,(1988),421