input word = C00027885

Metabolite InformationStructural formula
Name Apratoxin B
Formula C44H67N5O8S
Mw 825.47103488
CAS RN 444885-29-4
C_ID C00027885 ,
InChIKey ZSYPDXOLYNZQGO-QCWFJVKWNA-N
InChICode InChI=1S/C44H67N5O8S/c1-12-26(3)37-42(54)49-19-13-14-34(49)43(55)57-36(44(7,8)9)21-25(2)20-35(50)28(5)40-45-31(24-58-40)22-27(4)38(51)46-33(23-30-15-17-32(56-11)18-16-30)41(53)48(10)29(6)39(52)47-37/h15-18,22,25-26,28-29,31,33-37,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)(H,47,52)/b27-22-/t25-,26-,28-,29-,31-,33-,34-,35-,36-,37+/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)Cc1ccc(cc1)OC)/C)C)O)C)C(C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya bouillonii Ref.
--Lyngbya majuscula Ref.
--Lyngbya sp. Ref.
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