input word = C00027891

Metabolite InformationStructural formula
Name Archerine
Formula C32H36Br4N10O8
Mw 1003.9451098
CAS RN 331434-54-9
C_ID C00027891 ,
InChIKey OFFATAQJRNDHGP-APJMONOANA-N
InChICode InChI=1S/C32H36Br4N10O8/c1-51-23-14(33)8-31(25(47)20(23)35)10-17(45-53-31)27(49)39-6-3-4-16-22(44-30(38)42-16)13(19-12-41-29(37)43-19)5-7-40-28(50)18-11-32(54-46-18)9-15(34)24(52-2)21(36)26(32)48/h8-9,12-13,25-26,47-48H,3-7,10-11H2,1-2H3,(H,39,49)(H,40,50)(H3,37,41,43)(H3,38,42,44)/t13-,25-,26-,31+,32+/m0/s1
SMILES c1(c([nH]c(n1)N)[C@H](c1[nH]c(nc1)N)CCNC(=O)C1=NO[C@]2(C1)[C@H](C(=C(C(=C2)Br)OC)Br)O)CCCNC(=O)C1=NO[C@]2(C1)[C@H](C(=C(C(=C2)Br)OC)Br)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina archeri Ref.
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