input word = C00044839

Metabolite InformationStructural formula
Name Kahalalide C
Formula C47H63N9O10
Mw 913.4697893
CAS RN 180714-96-9
C_ID C00044839 ,
InChIKey JCZBBRHVEIHWTL-TUFLOWQANA-N
InChICode InChI=1S/C47H63N9O10/c1-5-11-38(59)51-35(24-29-12-8-7-9-13-29)43(62)56-40-28(4)66-46(65)39(27(3)6-2)55-44(63)37(26-31-17-21-33(58)22-18-31)53-41(60)34(14-10-23-50-47(48)49)52-42(61)36(54-45(40)64)25-30-15-19-32(57)20-16-30/h7-9,12-13,15-22,27-28,34-37,39-40,57-58H,5-6,10-11,14,23-26H2,1-4H3,(H,51,59)(H,52,61)(H,53,60)(H,54,64)(H,55,63)(H,56,62)(H4,48,49,50)/t27-,28+,34-,35+,36+,37+,39-,40-/m0/s1
SMILES [C@@H]1(OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](CC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia rufescens Ref.
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