input word = C00038482

Metabolite InformationStructural formula
Name Apratoxin D
Formula C48H75N5O8S
Mw 881.53363514
CAS RN 1030020-40-6
C_ID C00038482 ,
InChIKey OFUDGDJEKOUEKG-BQBXOTCFNA-N
InChICode InChI=1S/C48H75N5O8S/c1-14-29(3)41-46(58)53-21-15-16-38(53)47(59)61-40(31(5)26-48(8,9)10)23-28(2)22-39(54)32(6)43-49-35(27-62-43)24-30(4)42(55)50-37(25-34-17-19-36(60-13)20-18-34)45(57)51(11)33(7)44(56)52(41)12/h17-20,24,28-29,31-33,35,37-41,54H,14-16,21-23,25-27H2,1-13H3,(H,50,55)/b30-24+/t28-,29-,31-,32-,33-,35-,37-,38-,39-,40+,41-/m0/s1
SMILES [C@H]1(NC(=O)/C(=C/[C@H]2CSC(=N2)[C@H]([C@H](C[C@@H](C[C@@H](OC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C1=O)C)C)C)[C@H](CC)C)CCC2)[C@H](CC(C)(C)C)C)C)O)C)/C)Cc1ccc(cc1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Lyngbya bouillonii Ref.
--Lyngbya majuscula Ref.
--Lyngbya sordida Ref.
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