input word = C00027876

Metabolite InformationStructural formula
Name Aplyronine A
Formula C59H101N3O14
Mw 1075.72835496
CAS RN 151923-84-1
C_ID C00027876 ,
InChIKey JMXMEKJLQWJRHY-GCQADJLQNA-N
InChICode InChI=1S/C59H101N3O14/c1-38-27-28-39(2)50(72-18)31-29-40(3)56(67)44(7)52(76-59(69)49(36-70-16)61(13)14)24-20-19-21-26-54(65)74-51(25-22-23-48(35-38)71-17)43(6)55(66)41(4)30-32-53(75-58(68)46(9)60(11)12)45(8)57(73-47(10)64)42(5)33-34-62(15)37-63/h19-23,26,28,33-34,37-38,40-46,48-53,55-57,66-67H,24-25,27,29-32,35-36H2,1-18H3/b20-19+,23-22+,26-21+,34-33+,39-28+/t38-,40-,41+,42-,43-,44-,45-,46-,48-,49-,50+,51-,52+,53+,55+,56+,57+/m0/s1
SMILES COCC(C(=O)OC1C/C=C/C=C/C(=O)OC(C(C)C(O)C(C)CCC(OC(=O)C(C)N(C)C)C(C)C(OC(C)=O)C(C)/C=C/N(C)C=O)C/C=C/C(OC)CC(C)C/C=C(C)C(OC)CCC(C)C(O)C1C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia kurodai Ref.
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OrganismAplysia kurodai
ReferenceOjika,J.Am.Chem.Soc.,116,(1994),7441