input word = C00025974

Metabolite InformationStructural formula
Name NPTX 6
Nephilatoxin 6
Formula C47H83N13O8
Mw 957.64875672
CAS RN 119613-52-4
C_ID C00025974 ,
InChIKey BNAWODXLBHBKPJ-WHUAGQPENA-N
InChICode InChI=1S/C47H83N13O8/c48-19-2-5-20-50-29-15-42(64)55-25-9-7-22-52-31-17-44(66)57-27-11-8-23-53-32-18-43(65)56-26-10-6-21-51-30-16-41(63)54-24-3-1-4-28-58-47(68)38(34-40(49)62)60-45(67)33-36-35-59-37-13-12-14-39(61)46(36)37/h12-14,35,38,50-53,59,61H,1-11,15-34,48H2,(H2,49,62)(H,54,63)(H,55,64)(H,56,65)(H,57,66)(H,58,68)(H,60,67)/t38-/m0/s1
SMILES c1(CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNC(=O)CCNCCCCNC(=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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