input word = C00017808

Metabolite InformationStructural formula
Name Kibdelin C2
Formula C83H88Cl4N8O29
Mw 1800.44112975
CAS RN 105997-85-1
C_ID C00017808 ,
InChIKey GWYRZMPGANUJTA-FDNBVLOSNA-N
InChICode InChI=1S/C83H88Cl4N8O29/c1-3-4-5-6-7-8-9-10-11-12-55(102)89-65-70(107)68(105)53(30-96)122-82(65)124-74-51-24-35-25-52(74)120-73-43(85)21-36(22-44(73)86)67(104)64-80(115)93-62(81(116)117)40-26-37(98)27-50(121-83-72(109)71(108)69(106)54(31-97)123-83)56(40)39-19-32(13-16-45(39)99)59(76(111)95-64)90-77(112)60(35)91-78(113)61-41-28-38(29-47(101)57(41)87)118-49-23-33(14-17-46(49)100)58(88-2)75(110)94-63(79(114)92-61)66(103)34-15-18-48(119-51)42(84)20-34/h13-29,53-54,58-72,82-83,88,96-101,103-109H,3-12,30-31H2,1-2H3,(H,89,102)(H,90,112)(H,91,113)(H,92,114)(H,93,115)(H,94,110)(H,95,111)(H,116,117)/t53-,54+,58+,59-,60-,61-,62+,63-,64+,65-,66-,67-,68-,69+,70-,71-,72+,82+,83+/m1/s1
SMILES CCCCCCCCCCCC(=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