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CHEBI:214392 - 7-dehydroxyepicoccin H

ChEBI IDCHEBI:214392
ChEBI Name7-dehydroxyepicoccin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O7S2
Net Charge0
Average Mass470.569
Monoisotopic Mass470.11814
SMILESCS[C@@]12C[C@H]3C(=O)C[C@H](O)[C@H](O)[C@H]3N1C(=O)[C@]1(SC)C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C20H26N2O7S2/c1-30-19-6-8-10(23)3-4-11(24)14(8)21(19)17(28)20(31-2)7-9-12(25)5-13(26)16(27)15(9)22(20)18(19)29/h8-9,11,13-16,24,26-27H,3-7H2,1-2H3/t8-,9-,11-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyVQTRHSQPOUWBGB-CNWKXFJGSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (32686343)
ChEBI Ontology
Outgoing Relation(s)
7-dehydroxyepicoccin H (CHEBI:214392) has functional parent α-amino acid (CHEBI:33704)
7-dehydroxyepicoccin H (CHEBI:214392) is a organonitrogen compound (CHEBI:35352)
7-dehydroxyepicoccin H (CHEBI:214392) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15S,19R)-5,6,15-trihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12,18-tetrone
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89898796ChemSpider