input word = C00039552

Metabolite InformationStructural formula
Name Kahalalide V
Formula C47H65N9O11
Mw 931.48035399
CAS RN 1025752-42-4
C_ID C00039552 ,
InChIKey SGZMHCQQOQOYCC-BUBOROMINA-N
InChICode InChI=1S/C47H65N9O11/c1-5-11-38(60)51-35(24-29-12-8-7-9-13-29)43(63)56-40(28(4)57)45(65)54-36(25-30-15-19-32(58)20-16-30)42(62)52-34(14-10-23-50-47(48)49)41(61)53-37(26-31-17-21-33(59)22-18-31)44(64)55-39(46(66)67)27(3)6-2/h7-9,12-13,15-22,27-28,34-37,39-40,57-59H,5-6,10-11,14,23-26H2,1-4H3,(H,51,60)(H,52,62)(H,53,61)(H,54,65)(H,55,64)(H,56,63)(H,66,67)(H4,48,49,50)/t27-,28+,34-,35+,36+,37+,39-,40-/m0/s1
SMILES c1(C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC)CCCNC(=N)N)C(=O)N[C@@H]([C@H](CC)C)C(=O)O)ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia rufescens Ref.
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OrganismElysia rufescens
ReferenceRao,J.Nat.Prod.,71,(2008),772