CHEBI:202433 - Epoxyquinol A

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 Epoxyquinol A
ChEBI ID CHEBI:202433
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C20H20O8
Net Charge 0
Average Mass 388.372
Monoisotopic Mass 388.11582
InChI InChI=1S/C20H20O8/c1-4-7-8-9(13(23)16-15(27-16)12(8)22)19(26-4)20-6(3-25-5(2)10(7)20)11(21)14-17(28-14)18(20)24/h3-5,7,10-11,13-17,19,21,23H,1-2H3/t4-,5-,7+,10+,11-,13-,14+,15-,16+,17?,19-,20+/m0/s1
InChIKey HJZHVRIBNUVKQX-RYQBWUTOSA-N
SMILES O=C1C2=C([C@@H]3O[C@H]([C@H]2[C@H]4[C@@H](OC=C5[C@@]34C(=O)C6O[C@@H]6[C@H]5O)C)C)[C@H](O)[C@@H]7[C@H]1O7
ChEBI Ontology
Outgoing Epoxyquinol A (CHEBI:202433) is a organic heterotricyclic compound (CHEBI:26979)
Epoxyquinol A (CHEBI:202433) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,6R,7S,11S,12R,13S,16R,18R,19S,22S)-7,19-dihydroxy-11,22-dimethyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-diene-3,15-dione