input word = C00017809

Metabolite InformationStructural formula
Name Kibdelin D
Formula C81H82Cl4N8O29
Mw 1770.39417956
CAS RN 105997-86-2
C_ID C00017809 ,
InChIKey FZLZXWVVGYPKAS-ZBWMHMAPNA-N
InChICode InChI=1S/C81H82Cl4N8O29/c1-3-4-5-6-7-8-9-10-53(100)87-63-68(105)66(103)51(28-94)120-80(63)122-72-49-22-33-23-50(72)118-71-41(83)19-34(20-42(71)84)65(102)62-78(113)91-60(79(114)115)38-24-35(96)25-48(119-81-70(107)69(106)67(104)52(29-95)121-81)54(38)37-17-30(11-14-43(37)97)57(74(109)93-62)88-75(110)58(33)89-76(111)59-39-26-36(27-45(99)55(39)85)116-47-21-31(12-15-44(47)98)56(86-2)73(108)92-61(77(112)90-59)64(101)32-13-16-46(117-49)40(82)18-32/h7-8,11-27,51-52,56-70,80-81,86,94-99,101-107H,3-6,9-10,28-29H2,1-2H3,(H,87,100)(H,88,110)(H,89,111)(H,90,112)(H,91,113)(H,92,108)(H,93,109)(H,114,115)/b8-7+/t51-,52+,56-,57-,58+,59+,60+,61-,62+,63+,64+,65-,66-,67+,68-,69-,70+,80+,81+/m1/s1
SMILES c1(cc2cc(c1Oc1cc3cc(c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)CC/C=C/CCCCC)Oc1ccc(cc1Cl)[C@H](O)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]3C(=O)N[C@H]3C(=O)N[C@@H]([C@@H]2O)C(=O)N[C@@H](c2c(c4cc3ccc4O)c(cc(c2)O)O[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)CO)C(=O)O)c2c(c(cc(c2)Oc2cc([C@H](C(=O)N1)NC)ccc2O)O)Cl)Cl)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--PseudonocardiaceaeKibdelosporangium aridum subsp. largum (SK&F AAD-609) Ref.
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OrganismKibdelosporangium aridum subsp. largum (SK&F AAD-609)
ReferenceInaoka,J.Antibiotics,39,(1986),1386