CHEBI:169869 - Cycloartobiloxanthone

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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 Cycloartobiloxanthone
ChEBI ID CHEBI:169869
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H22O7
Net Charge 0
Average Mass 434.444
Monoisotopic Mass 434.13655
InChI InChI=1S/C25H22O7/c1-24(2)6-5-10-16(31-24)9-14(27)19-20(29)11-7-12-17-18(22(11)30-21(10)19)13(26)8-15(28)23(17)32-25(12,3)4/h5-6,8-9,12,26-28H,7H2,1-4H3
InChIKey OCZFLOUWXXGBPC-UHFFFAOYSA-N
SMILES O1C(C2C=3C1=C(O)C=C(O)C3C=4OC5=C(C(=O)C4C2)C(O)=CC=6OC(C=CC56)(C)C)(C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Cycloartobiloxanthone (CHEBI:169869) is a pyranoxanthones (CHEBI:71238)
IUPAC Name
12,21,23-trihydroxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one
Manual Xrefs Databases
8518318 ChemSpider
LMPK12111514 LIPID MAPS
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