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 CCCCCC=CCCC(=O)NC1[C@H](Oc2c3cc4cc2Oc2c(Cl)cc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(NC(=O)C(NC)c5ccc(O)c(c5)Oc5cc(O)c(Cl)c4c5)C(O)c4ccc(c(Cl)c4)O3)c3ccc(O)c(c3)-c3c(O[C@H]4OC(CO)[C@H](O)[C@@H](O)C4O)cc(O)cc3C(C(=O)O)NC2=O)OC(CO)[C@@H](O)[C@@H]1O
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