CHEBI:185604 - Garcimangosone A

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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 Garcimangosone A
ChEBI ID CHEBI:185604
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H28O6
Net Charge 0
Average Mass 460.526
Monoisotopic Mass 460.18859
InChI InChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-26(20)23(30)17-10-12-28(5,6)34-25(16)17/h7,9-13,29-30H,8H2,1-6H3
InChIKey SSITWAPGVBPANU-UHFFFAOYSA-N
SMILES O1C(C=CC=2C1=C(C3=C(OC=4C(C3=O)=C(O)C5=C(OC(C=C5)(C)C)C4)C2O)CC=C(C)C)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Garcimangosone A (CHEBI:185604) is a xanthones (CHEBI:51149)
IUPAC Name
11,22-dihydroxy-7,7,18,18-tetramethyl-15-(3-methylbut-2-enyl)-2,6,17-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5(10),8,11,15,19,21-octaen-13-one
Manual Xrefs Databases
9049484 ChemSpider
HMDB0036983 HMDB
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