input word = C00036214

Metabolite InformationStructural formula
Name Scyptolin A
Formula C45H69ClN8O14
Mw 980.46217668
CAS RN 403479-62-9
C_ID C00036214 ,
InChIKey RZNSGXRXRHZJGF-IKQMURFANA-N
InChICode InChI=1S/C45H69ClN8O14/c1-11-13-31(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)33(20(3)4)49-39(61)29(19-26-14-16-30(57)27(46)18-26)53(10)44(66)37(24(8)56)54-32(59)17-15-28(43(54)65)48-40(62)34(21(5)12-2)50-42(36)64/h14,16,18,20-25,28-29,32-37,55-57,59H,11-13,15,17,19H2,1-10H3,(H,47,58)(H,48,62)(H,49,61)(H,50,64)(H,51,60)(H,52,63)/t21-,22-,23+,24+,25+,28-,29+,32+,33+,34-,35+,36-,37+/m0/s1
SMILES CCCC(=O)N[C@@H](C)C(=O)NC(C(=O)N[C@@H]1C(=O)N[C@@H](C(C)CC)C(=O)NC2CC[C@@H](O)N(C2=O)C([C@@H](C)O)C(=O)N(C)C(Cc2ccc(O)c(Cl)c2)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]1C)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaScytonemataceaeScytonema hofmanni PCC 7110 Ref.
BacteriaScytonemataceaeScytonema hofmanni PCC7110 Ref.
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OrganismScytonema hofmanni PCC7110
ReferenceMatern,Phytochem.,58,(2001),1087