input word = C00036215

Metabolite InformationStructural formula
Name Scyptolin B
Formula C52H80ClN9O16
Mw 1121.54115529
CAS RN 403479-63-0
C_ID C00036215 ,
InChIKey GCJRSKZBAYFZEA-UHFFFAOYNA-N
InChICode InChI=1S/C52H80ClN9O16/c1-13-16-36(65)54-26(7)44(68)59-41(29(10)77-51(75)27(8)55-37(66)17-14-2)48(72)60-42-30(11)78-52(76)39(24(4)5)57-45(69)34(23-31-18-20-35(64)32(53)22-31)61(12)50(74)43(28(9)63)62-38(67)21-19-33(49(62)73)56-46(70)40(25(6)15-3)58-47(42)71/h18,20,22,24-30,33-34,38-43,63-64,67H,13-17,19,21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,70)(H,57,69)(H,58,71)(H,59,68)(H,60,72)/t25-,26+,27+,28+,29-,30-,33-,34-,38-,39-,40-,41-,42-,43+/m1/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)OC(=O)[C@@H](NC(=O)CCC)C)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 PCC 7110
ReferenceMatern,Phytochem.,64,(2003),1061