input word = C00025970

Metabolite InformationStructural formula
Name NPTX 2
NPTX 801E
Nephilatoxin 2
Nephilatoxin 801E
Formula C39H67N11O7
Mw 801.52249357
CAS RN 119613-48-8
C_ID C00025970 ,
InChIKey FCDDOXZNNGKUHJ-GUZXWJHPNA-N
InChICode InChI=1S/C39H67N11O7/c40-15-2-5-16-42-23-12-35(54)46-20-7-6-17-43-24-13-36(55)47-22-9-18-44-25-14-34(53)45-19-3-1-4-21-48-39(57)31(27-33(41)52)50-37(56)26-29-28-49-30-10-8-11-32(51)38(29)30/h8,10-11,28,31,42-44,49,51H,1-7,9,12-27,40H2,(H2,41,52)(H,45,53)(H,46,54)(H,47,55)(H,48,57)(H,50,56)/t31-/m0/s1
SMILES c1(CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCNC(=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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