CHEBI:187795 - Artonol D

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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 Artonol D
ChEBI ID CHEBI:187795
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O7
Net Charge 0
Average Mass 498.531
Monoisotopic Mass 498.16785
InChI InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3
InChIKey BPBNMDXSLVPNFT-UHFFFAOYSA-N
SMILES O1C2=C(CC(C3=C2C(=O)C4=C(OC(C=C4)(C)C)C3=O)C(C)=C)C(=O)C5=C1C6=C(OC(C=C6)(C)C)C=C5O
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 Artonol D (CHEBI:187795) is a pyranoxanthones (CHEBI:71238)
IUPAC Name
17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione
Manual Xrefs Databases
8848293 ChemSpider
HMDB0030495 HMDB
LMPK12111510 LIPID MAPS
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