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CHEBI:223110 - 21R-citrinadin A

ChEBI IDCHEBI:223110
ChEBI Name21R-citrinadin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52N4O6
Net Charge0
Average Mass624.823
Monoisotopic Mass624.38869
SMILESCN[C@]12CN3[C@H](C[C@H](OC(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C)C[C@]1(O)C(C)(C)[C@]1(C2)C(=O)Nc2c(C(=O)[C@@H]3OC3(C)C)cccc21
InChIInChI=1S/C35H52N4O6/c1-19(2)26(38(9)10)29(41)44-22-14-20(3)39-18-33(36-8)17-34(32(6,7)35(33,43)16-21(39)15-22)24-13-11-12-23(25(24)37-30(34)42)27(40)28-31(4,5)45-28/h11-13,19-22,26,28,36,43H,14-18H2,1-10H3,(H,37,42)/t20-,21+,22+,26+,28-,33+,34-,35-/m0/s1
InChIKeyBERMVHWKOOMCMF-INOZGOCBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (34230497)
ChEBI Ontology
Outgoing Relation(s)
21R-citrinadin A (CHEBI:223110) is a α-amino acid ester (CHEBI:46874)