input word = C00028421

Metabolite InformationStructural formula
Name Kahalalide O
Formula C48H68N8O11
Mw 932.50075507
CAS RN 258507-35-6
C_ID C00028421 ,
InChIKey NEXGSZAIWOZENU-DRJWXFMWNA-N
InChICode InChI=1S/C48H68N8O11/c1-9-27(6)40-45(63)54-39(26(4)5)48(66)67-29(8)42(53-38(60)24-50-37(59)16-12-13-25(2)3)47(65)52-35(21-30-17-19-32(58)20-18-30)43(61)51-36(44(62)56-41(28(7)57)46(64)55-40)22-31-23-49-34-15-11-10-14-33(31)34/h10-11,14-15,17-20,23,25-29,35-36,39-42,49,57-58H,9,12-13,16,21-22,24H2,1-8H3,(H,50,59)(H,51,61)(H,52,65)(H,53,60)(H,54,63)(H,55,64)(H,56,62)/t27-,28+,29-,35-,36-,39+,40+,41-,42-/m1/s1
SMILES C1(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N1)[C@@H](O)C)[C@H](C)CC)C(C)C)C)NC(=O)CNC(=O)CCCC(C)C)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia ornata Ref.
AnimaliaPlacobranchidaeElysia rufescens Ref.
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