CHEBI:227526 - Outovirin C

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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 Outovirin C
ChEBI ID CHEBI:227526
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H24N2O9S3
Net Charge 0
Average Mass 544.610
Monoisotopic Mass 544.06439
InChI InChI=1S/C21H24N2O9S3/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-35-34-21(19(22)28)8-20(29)12(25)7-5-10(24)17(20)32-23(21)18(13)27/h4-7,10,12-13,16-17,24-26,29H,8H2,1-3H3/t10-,12-,13-,16-,17+,20+,21-/m1/s1
InChIKey SFLUCAHJUSGTFH-BFBGDVCSSA-N
SMILES S1S[C@]23N(O[C@H]4[C@H](O)C=C[C@H]([C@]4(C2)O)O)C(=O)[C@@H]([C@H](S1)C5=C(O)C(OC)=C(OC)C=C5)N(C3=O)C
Metabolite of Species Details
Penicillium raciborskii (NCBI:txid70559) See: PubMed
ChEBI Ontology
Outgoing Outovirin C (CHEBI:227526) is a methoxybenzenes (CHEBI:51683)
Outovirin C (CHEBI:227526) is a phenols (CHEBI:33853)
IUPAC Name
(1R,3S,4R,7R,8S,12S,13R)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.01,10.03,8]octadec-5-ene-11,17-dione
Manual Xref Database
78438880 ChemSpider
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