CHEBI:209860 - 7-methoxy-7'-hydroxyepicoccin G

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-methoxy-7'-hydroxyepicoccin G
ChEBI ID CHEBI:209860
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28N2O8S2
Net Charge 0
Average Mass 500.580
Monoisotopic Mass 500.12871
InChI InChI=1S/C21H28N2O8S2/c1-31-13-5-11(25)9-7-21(33-3)18(29)22-14-8(10(24)4-12(26)16(14)27)6-20(22,32-2)19(30)23(21)15(9)17(13)28/h8-9,12-17,26-28H,4-7H2,1-3H3/t8-,9-,12-,13-,14-,15-,16-,17-,20+,21+/m0/s1
InChIKey ULPPOZLZRYHEOH-SVLDSPCQSA-N
SMILES S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)[C@@H](O)CC4=O)[C@@H]5[C@@H](O)[C@@H](OC)CC([C@@H]5C2)=O)C
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing 7-methoxy-7'-hydroxyepicoccin G (CHEBI:209860) has functional parent α-amino acid (CHEBI:33704)
7-methoxy-7'-hydroxyepicoccin G (CHEBI:209860) is a organonitrogen compound (CHEBI:35352)
7-methoxy-7'-hydroxyepicoccin G (CHEBI:209860) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,15-trihydroxy-16-methoxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12,18-tetrone