input word = C00034585

Metabolite InformationStructural formula
Name Lyngbyabellin I
(-)-Lyngbyabellin I
Formula C38H55Cl2N3O12S2
Mw 879.26042112
CAS RN 873207-44-4
C_ID C00034585 ,
InChIKey JVTFMRGMTGVIQU-IPCFIWSFNA-N
InChICode InChI=1S/C38H55Cl2N3O12S2/c1-10-13-29(46)43-31(21(5)11-2)28(53-23(7)44)16-30(47)52-17-26(45)33-41-25(19-56-33)37(50)54-27(14-12-15-38(8,39)40)22(6)35(48)55-32(20(3)4)34-42-24(18-57-34)36(49)51-9/h18-22,26-28,31-32,45H,10-17H2,1-9H3,(H,43,46)/t21-,22+,26-,27+,28-,31+,32+/m1/s1
SMILES c1(scc(n1)C(=O)O[C@H]([C@@H](C(=O)O[C@@H](C(C)C)c1scc(n1)C(=O)OC)C)CCCC(C)(Cl)Cl)[C@@H](COC(=O)C[C@@H](OC(=O)C)[C@H]([C@H](C)CC)NC(=O)CCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceTan,Phytochem.,68,(2007),954