input word = C00038483

Metabolite InformationStructural formula
Name Apratoxin E
(-)-Apratoxin E
Formula C43H65N5O7S
Mw 795.4604702
CAS RN 1030020-82-6
C_ID C00038483 ,
InChIKey RDPZVJUUVDDQSB-SDYFRUCLNA-N
InChICode InChI=1S/C43H65N5O7S/c1-11-28(3)38-41(52)48-23-13-15-34(48)42(53)55-35(43(5,6)7)24-27(2)14-12-16-37-44-31(26-56-37)19-22-36(49)45-33(25-30-17-20-32(54-10)21-18-30)40(51)46(8)29(4)39(50)47(38)9/h12,16-18,20-21,27-29,31,33-35,38H,11,13-15,19,22-26H2,1-10H3,(H,45,49)/b16-12+/t27-,28-,29-,31-,33-,34-,35-,38-/m0/s1
SMILES [C@H]1(NC(=O)CC[C@H]2CSC(=N2)/C=C/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(C)(C)C)C)Cc1ccc(cc1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya bouillonii Ref.
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OrganismLyngbya bouillonii
ReferenceMatthew,J.Nat.Prod.,71,(2008),1113