CHEBI:204603 - Ruguloxanthone 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 Ruguloxanthone A
ChEBI ID CHEBI:204603
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O6
Net Charge 0
Average Mass 422.477
Monoisotopic Mass 422.17294
InChI InChI=1S/C25H26O6/c1-12(2)15-10-30-23-13(3)8-17-19(20(23)21(15)28)22(29)18-16(27)7-6-14(24(18)31-17)9-25(4,5)11-26/h6-8,11,15,21,27-28H,1,9-10H2,2-5H3/t15-,21-/m1/s1
InChIKey JDSJQMDLJSHVII-QVKFZJNVSA-N
SMILES O=C1C2=C(OC3=C1C4=C(OC[C@@H]([C@H]4O)C(=C)C)C(=C3)C)C(=CC=C2O)CC(C=O)(C)C
Metabolite of Species Details
Aspergillus rugulosus (NCBI:txid41736) See: PubMed
ChEBI Ontology
Outgoing Ruguloxanthone A (CHEBI:204603) is a pyranoxanthones (CHEBI:71238)
IUPAC Name
3-[(1R,2S)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-2,2-dimethylpropanal
Manual Xref Database
24661779 ChemSpider
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