input word = C00028425

Metabolite InformationStructural formula
Name Kapakahine C
Formula C58H72N10O10
Mw 1068.54328859
CAS RN 181862-47-5
C_ID C00028425 ,
InChIKey AOXOTHDKWQBVGY-YLRFQVRDNA-N
InChICode InChI=1S/C58H72N10O10/c1-7-31(5)45-50(73)59-38-28-57(35-15-9-11-17-39(35)66-52(75)43(67(51(38)74)56(57)66)27-33-21-23-34(69)24-22-33)68-40-18-12-10-16-36(40)58(78)29-37(60-55(58)68)47(70)63-46(32(6)8-2)54(77)65-26-14-19-41(65)48(71)61-44(30(3)4)53(76)64-25-13-20-42(64)49(72)62-45/h9-12,15-18,21-24,30-32,37-38,41-46,55-56,60,69,78H,7-8,13-14,19-20,25-29H2,1-6H3,(H,59,73)(H,61,71)(H,62,72)(H,63,70)/t31-,32+,37-,38-,41-,42-,43-,44+,45-,46-,55+,56-,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]1C[C@]2(c3c(N4[C@H]2N1)cccc3)O)[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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