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CHEBI:224059 - Amphiepicoccin H

ChEBI IDCHEBI:224059
ChEBI NameAmphiepicoccin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O7S2
Net Charge0
Average Mass452.510
Monoisotopic Mass452.07119
SMILESCO[C@@H]1[C@H](O)[C@@H]2[C@H]3C[C@@]4(S[C@@H]1C3=O)C(=O)N1[C@@H]3[C@@H](O)[C@@H]5CC(=O)[C@@H]3C[C@@]1(S5)C(=O)N24
InChIInChI=1S/C19H20N2O7S2/c1-28-14-13(25)10-6-4-19(30-15(14)11(6)23)17(27)20-9-5-3-18(20,16(26)21(10)19)29-8(12(9)24)2-7(5)22/h5-6,8-10,12-15,24-25H,2-4H2,1H3/t5-,6+,8-,9-,10-,12-,13+,14+,15+,18+,19+/m0/s1
InChIKeyZCLHPUMPDXITBU-ICKVOYKCSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31975590)
ChEBI Ontology
Outgoing Relation(s)
Amphiepicoccin H (CHEBI:224059) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin H (CHEBI:224059) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin H (CHEBI:224059) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6R,7S,9R,11R,14S,15R,16S,19R)-5,15-dihydroxy-6-methoxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.17,11.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone