input word = C00017874

Metabolite InformationStructural formula
Name Chloropolysporin C
Formula C77H79Cl3N8O30
Mw 1700.39676638
CAS RN 105650-12-2
C_ID C00017874 ,
InChIKey ZRPIIHCQSYHVEJ-UHFFFAOYNA-N
InChICode InChI=1S/C77H79Cl3N8O30/c1-26-59(96)40(81)23-50(111-26)116-66-30-7-13-44(38(79)17-30)112-46-19-32-20-47(68(46)118-77-65(102)63(100)61(98)49(25-90)115-77)113-45-14-8-31(18-39(45)80)67(117-76-64(101)62(99)60(97)48(24-89)114-76)58(87-69(103)52(82-2)27-3-9-33(91)10-4-27)73(107)84-54(29-6-12-42(94)37(78)16-29)70(104)85-55(32)72(106)83-53-28-5-11-41(93)35(15-28)51-36(21-34(92)22-43(51)95)56(75(109)110)86-74(108)57(66)88-71(53)105/h3-22,26,40,48-50,52-67,76-77,82,89-102H,23-25,81H2,1-2H3,(H,83,106)(H,84,107)(H,85,104)(H,86,108)(H,87,103)(H,88,105)(H,109,110)/t26-,40-,48-,49-,50+,52+,53-,54-,55+,56+,57-,58-,59+,60-,61-,62+,63+,64-,65-,66+,67-,76+,77+/m1/s1
SMILES c1(cc2ccc1Oc1cc3cc(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Oc1ccc(cc1Cl)[C@H]([C@H](C(=O)N[C@H](c1cc(c(cc1)O)Cl)C(=O)N[C@@H]3C(=O)N[C@H]1C(=O)N[C@H]([C@H]2O[C@@H]2O[C@@H]([C@@H]([C@@H](C2)N)O)C)C(=O)N[C@@H](c2c(c3cc1ccc3O)c(cc(c2)O)O)C(=O)O)NC(=O)[C@@H](NC)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--PseudonocardiaceaeFaenia interjecta SANK 60983 Ref.
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