input word = C00049066

Metabolite InformationStructural formula
Name 11-Oxoaerothionin
Formula C24H24Br4N4O9
Mw 827.82768
CAS RN 73622-23-8
C_ID C00049066 ,
InChIKey LPBNXOLVSVGFDX-SYCOFJNWNA-N
InChICode InChI=1S/C24H24Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,19-20,34-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t19-,20-,23+,24+/m0/s1
SMILES C1(=C[C@@]2([C@H](C(=C1OC)Br)O)ON=C(C2)C(=O)NCC(=O)CCNC(=O)C1=NO[C@]2(C1)[C@H](C(=C(C(=C2)Br)OC)Br)O)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina cauliformis Ref.
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OrganismAplysina cauliformis
ReferenceCiminiello,J.Nat.Prod.,62,(1999),590