input word = C00028681

Metabolite InformationStructural formula
Name Nephilatoxin 7
NPTX-7
Formula C38H64N10O7
Mw 772.49594447
CAS RN 114355-40-7
C_ID C00028681 ,
InChIKey KKYYMGYNEDTWTK-GPHMJDBDNA-N
InChICode InChI=1S/C38H64N10O7/c39-16-4-7-18-41-23-14-34(50)44-21-9-8-19-42-24-15-33(49)43-20-5-1-6-22-45-37(54)32(26-36(52)53)48-38(55)31(13-10-17-40)47-35(51)25-28-27-46-30-12-3-2-11-29(28)30/h2-3,11-12,27,31-32,41-42,46H,1,4-10,13-26,39-40H2,(H,43,49)(H,44,50)(H,45,54)(H,47,51)(H,48,55)(H,52,53)/t31-,32-/m0/s1
SMILES c1ccc2c(c1)[nH]cc2CC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCCCCCNC(=O)CCNCCCCNC(=O)CCNCCCCN
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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