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CHEBI:203476 - Graphiumin H

ChEBI IDCHEBI:203476
ChEBI NameGraphiumin H
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SubmitterMetaboLights
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FormulaC31H38N2O8S2
Net Charge0
Average Mass630.785
Monoisotopic Mass630.20696
SMILESC/C=C(\C)C(=O)C(C)C(O)C(C)C(=O)O[C@H]1C=CC=C2C[C@@]3(SC)C(=O)N4[C@H]5C(=COC=C[C@@H]5O)C[C@@]4(SC)C(=O)N3[C@@H]21
InChIInChI=1S/C31H38N2O8S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)41-22-10-8-9-19-13-30(42-5)28(38)32-23-20(15-40-12-11-21(23)34)14-31(32,43-6)29(39)33(30)24(19)22/h7-12,15,17-18,21-24,26,34,36H,13-14H2,1-6H3/b16-7+/t17?,18?,21-,22-,23-,24-,26?,30+,31+/m0/s1
InChIKeyDBVGKRIYSSJHML-UBWFRMKNSA-N
Species of MetaboliteComponentSourceComments
Graphium (ncbitaxon:76204) - PubMed (25899125)
ChEBI Ontology
Outgoing Relation(s)
Graphiumin H (CHEBI:203476) has functional parent α-amino acid (CHEBI:33704)
Graphiumin H (CHEBI:203476) is a organonitrogen compound (CHEBI:35352)
Graphiumin H (CHEBI:203476) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5S,11R,14S,15S)-15-hydroxy-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] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
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