input word = C00027886

Metabolite InformationStructural formula
Name Apratoxin C
Formula C44H67N5O8S
Mw 825.47103488
CAS RN 444885-30-7
C_ID C00027886 ,
InChIKey OIRVOJCFIYCVDL-GALPBDHLNA-N
InChICode InChI=1S/C44H67N5O8S/c1-12-27(5)38-43(54)49-19-13-14-35(49)44(55)57-37(25(2)3)21-26(4)20-36(50)29(7)40-45-32(24-58-40)22-28(6)39(51)46-34(23-31-15-17-33(56-11)18-16-31)42(53)47(9)30(8)41(52)48(38)10/h15-18,22,25-27,29-30,32,34-38,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)/b28-22-/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38+/m0/s1
SMILES N12CCC[C@H]1C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C1=N[C@H](CS1)/C=C(/C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@@H](C2=O)[C@@H](C)CC)C)C)C)Cc1ccc(cc1)OC)\C)C)O)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Lyngbya bouillonii Ref.
--Lyngbya majuscula Ref.
--Lyngbya sp. Ref.
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