input word = C00028423

Metabolite InformationStructural formula
Name Kapakahine A
(-)-Kapakahine A
Formula C58H72N10O9
Mw 1052.54837397
CAS RN 181862-46-4
C_ID C00028423 ,
InChIKey ODDAVUROMNPIJG-ZAIDGSKENA-N
InChICode InChI=1S/C58H72N10O9/c1-7-32(5)47-52(73)60-40-29-58(38-16-10-12-18-42(38)67-54(75)45(68(53(40)74)57(58)67)27-34-21-23-36(69)24-22-34)66-30-35(37-15-9-11-17-41(37)66)28-39(59)49(70)63-48(33(6)8-2)56(77)65-26-14-19-43(65)50(71)61-46(31(3)4)55(76)64-25-13-20-44(64)51(72)62-47/h9-12,15-18,21-24,30-33,39-40,43-48,57,69H,7-8,13-14,19-20,25-29,59H2,1-6H3,(H,60,73)(H,61,71)(H,62,72)(H,63,70)/t32-,33+,39-,40-,43-,44-,45-,46-,47-,48-,57-,58+/m0/s1
SMILES c1ccc2c(c1)N1[C@@H]3[C@]42C[C@@H](C(=O)N3[C@H](C1=O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@H](Cc1c2c(n4c1)cccc2)N)[C@H](C)CC)C(C)C)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
--Cribrochalina olemda Ref.
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