CHEBI:192294 - Artomunoxanthentrione epoxide

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 Artomunoxanthentrione epoxide
ChEBI ID CHEBI:192294
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H22O8
Net Charge 0
Average Mass 462.454
Monoisotopic Mass 462.13147
InChI InChI=1S/C26H22O8/c1-11(2)13-10-25-22(30)18-14(27)8-15-12(6-7-24(3,4)33-15)21(18)32-23(25)26(34-25)17(28)9-16(31-5)20(29)19(13)26/h6-10,19,23,27H,1H2,2-5H3
InChIKey NDLOJOBMSNOREU-UHFFFAOYSA-N
SMILES O1C23C4OC5=C(C(=O)C14C=C(C2C(=O)C(OC)=CC3=O)C(C)=C)C(O)=CC=6OC(C=CC56)(C)C
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Rumen (NCIT:C98778). See: MetaboLights Study
ChEBI Ontology
Outgoing Artomunoxanthentrione epoxide (CHEBI:192294) is a pyranoxanthones (CHEBI:71238)
IUPAC Name
12-hydroxy-20-methoxy-8,8-dimethyl-17-prop-1-en-2-yl-3,9,23-trioxahexacyclo[13.7.1.01,18.02,15.04,13.05,10]tricosa-4(13),5(10),6,11,16,20-hexaene-14,19,22-trione
Manual Xrefs Databases
35014957 ChemSpider
HMDB0040533 HMDB
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