CHEBI:220227 - Gliovirin

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 Gliovirin
ChEBI ID CHEBI:220227
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20N2O8S2
Net Charge 0
Average Mass 480.510
Monoisotopic Mass 480.06611
InChI InChI=1S/C20H20N2O8S2/c1-27-10-5-3-8(13(24)14(10)28-2)15-12-17(25)22-20(32-31-15,18(26)21-12)7-19-11(29-19)6-4-9(23)16(19)30-22/h3-6,9,11-12,15-16,23-24H,7H2,1-2H3,(H,21,26)/t9-,11+,12-,15?,16+,19+,20-/m1/s1
InChIKey VZUFPCHAVLFFAY-QEZWNWIZSA-N
SMILES S1SC(C2=C(O)C(OC)=C(OC)C=C2)[C@@H]3C(N4[C@]1(C(=O)N3)C[C@]56O[C@H]5C=C[C@H]([C@@H]6O4)O)=O
Metabolite of Species Details
Trichoderma (NCBI:txid5543) See: PubMed
ChEBI Ontology
Outgoing Gliovirin (CHEBI:220227) is a methoxybenzenes (CHEBI:51683)
Gliovirin (CHEBI:220227) is a phenols (CHEBI:33853)
IUPAC Name
(1R,3S,5S,8R,9S,13S)-8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.01,11.03,5.03,9]octadec-6-ene-12,17-dione
Manual Xref Database
78438200 ChemSpider
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