input word = C00049818

Metabolite InformationStructural formula
Name Malyngamide I acetate
Formula C28H44ClNO6
Mw 525.28571585
CAS RN 69121-74-0
C_ID C00049818 ,
InChIKey PBSMCFLXUIGLJN-JWPJRABONA-N
InChICode InChI=1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(18-29)28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18-/t20-,23+,24-,25+,28+/m1/s1
SMILES CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@]12O[C@H]1C[C@@H](OC(C)=O)[C@@H](C)C2=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--GracilariaceaeGracilaria coronopifolia Ref.
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