input word = C00026525

Metabolite InformationStructural formula
Name NPTX-643
Nephilatoxin 643
Formula C32H53N9O5
Mw 643.41696587
CAS RN 205673-37-6
C_ID C00026525 ,
InChIKey BIAAMRCPEFOYIT-XUESUEPENA-N
InChICode InChI=1S/C32H53N9O5/c33-13-4-7-14-35-19-12-29(43)37-17-9-8-15-36-23-31(45)38-16-5-1-6-18-39-32(46)27(21-28(34)42)41-30(44)20-24-22-40-26-11-3-2-10-25(24)26/h2-3,10-11,22,27,35-36,40H,1,4-9,12-21,23,33H2,(H2,34,42)(H,37,43)(H,38,45)(H,39,46)(H,41,44)/t27-/m0/s1
SMILES c1ccc2c(c1)[nH]cc2CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CNCCCCNC(=O)CCNCCCCN
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephilengys borbonica Ref.
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