CHEBI:192411 - Artonin R

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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 Artonin R
ChEBI ID CHEBI:192411
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H30O10
Net Charge 0
Average Mass 562.571
Monoisotopic Mass 562.18390
InChI InChI=1S/C31H30O10/c1-14(2)17-12-18-24(34)21-23(33)15-8-10-29(3,4)40-25(15)16(9-11-30(5,6)41-37)26(21)39-27(18)20-19(32)13-31(36,22(17)20)28(35)38-7/h8-12,33,36-37H,1,13H2,2-7H3/b11-9+
InChIKey DHSZUELPJXKISQ-PKNBQFBNSA-N
SMILES O1C2=C3C(C(O)(CC3=O)C(OC)=O)=C(C=C2C(=O)C4=C1C(=C5OC(C=CC5=C4O)(C)C)/C=C/C(OO)(C)C)C(C)=C
Metabolite of Species Details
Pinus radiata (NCBI:txid3347) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Artonin R (CHEBI:192411) is a pyranoxanthones (CHEBI:71238)
IUPAC Name
methyl 21-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-7,14-dihydroxy-18,18-dimethyl-5,12-dioxo-9-prop-1-en-2-yl-2,19-dioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),3,8,10,14,16,20-heptaene-7-carboxylate
Manual Xrefs Databases
35015110 ChemSpider
HMDB0041125 HMDB
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