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CHEBI:207665 - Graphiumin F

ChEBI IDCHEBI:207665
ChEBI NameGraphiumin F
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FormulaC36H50N2O9S2
Net Charge0
Average Mass718.935
Monoisotopic Mass718.29577
SMILESCCCCC[C@H](O)CC(=O)O[C@H]1C=CC=C2C[C@@]3(SC)C(=O)N4[C@H]5C(=COC=C[C@@H]5OC(=O)C[C@@H](O)CCCCC)C[C@@]4(SC)C(=O)N3[C@@H]21
InChIInChI=1S/C36H50N2O9S2/c1-5-7-9-13-25(39)18-29(41)46-27-15-11-12-23-20-35(48-3)33(43)38-32-24(21-36(38,49-4)34(44)37(35)31(23)27)22-45-17-16-28(32)47-30(42)19-26(40)14-10-8-6-2/h11-12,15-17,22,25-28,31-32,39-40H,5-10,13-14,18-21H2,1-4H3/t25-,26-,27-,28-,31-,32-,35+,36+/m0/s1
InChIKeyNGEGLVLHXITUQH-UNGBEAOESA-N
Species of MetaboliteComponentSourceComments
Graphium (ncbitaxon:76204) - PubMed (25899125)
ChEBI Ontology
Outgoing Relation(s)
Graphiumin F (CHEBI:207665) has functional parent α-amino acid (CHEBI:33704)
Graphiumin F (CHEBI:207665) is a organonitrogen compound (CHEBI:35352)
Graphiumin F (CHEBI:207665) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5S,11R,14S,15S)-15-[(3S)-3-hydroxyoctanoyl]oxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-5-yl] (3S)-3-hydroxyoctanoate
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