input word = C00025975

Metabolite InformationStructural formula
Name NPTX-9
Nephilatoxin 9
Formula C30H49N11O5
Mw 643.39181376
CAS RN 114355-42-9
C_ID C00025975 ,
InChIKey VGLQSZURURGWJT-UHFFFAOYNA-N
InChICode InChI=1S/C30H49N11O5/c31-12-6-11-23(41-27(44)21(32)9-7-15-38-30(34)35)28(45)36-13-4-1-5-14-37-29(46)24(17-25(33)42)40-26(43)16-19-18-39-22-10-3-2-8-20(19)22/h2-3,8,10,18,21,23-24,39H,1,4-7,9,11-17,31-32H2,(H2,33,42)(H,36,45)(H,37,46)(H,40,43)(H,41,44)(H4,34,35,38)/t21-,23+,24+/m1/s1
SMILES c1(CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)N)CCCN)c[nH]c2c1cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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