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 [C@H]1(CC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](NC(=O)[C@H](N(C(=O)[C@H](N1C2=O)[C@@H](C)O)C)Cc1ccc(c(c1)Cl)O)C(C)C)C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CCC)[C@@H](C)CC)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