input word = C00025971

Metabolite InformationStructural formula
Name NPTX 3
Nephilatoxin 3
Formula C38H65N11O7
Mw 787.50684351
CAS RN 119613-49-9
C_ID C00025971 ,
InChIKey XQZUZESKBCMJOG-REMWNZQGNA-N
InChICode InChI=1S/C38H65N11O7/c39-15-2-5-17-42-22-13-34(53)45-20-7-6-18-43-23-14-33(52)44-19-3-1-4-21-46-37(55)30(25-32(41)51)49-38(56)29(11-9-16-40)48-35(54)24-27-26-47-28-10-8-12-31(50)36(27)28/h8,10,12,26,29-30,42-43,47,50H,1-7,9,11,13-25,39-40H2,(H2,41,51)(H,44,52)(H,45,53)(H,46,55)(H,48,54)(H,49,56)/t29-,30-/m0/s1
SMILES c1(CC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNC(=O)CCNCCCCN)c[nH]c2c1c(ccc2)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaNephilidaeNephila clavata Ref.
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