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 c1(cc2cc(c1Oc1cc3cc(c1O[C@H]1[C@H](NC(=O)CCCCCCCCCCC)[C@H]([C@@H]([C@H](O1)CO)O)O)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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