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CHEBI:192411 - Artonin R

ChEBI IDCHEBI:192411
ChEBI NameArtonin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30O10
Net Charge0
Average Mass562.571
Monoisotopic Mass562.18390
SMILESC=C(C)c1cc2c(=O)c3c(O)c4c(c(/C=C/C(C)(C)OO)c3oc2c2c1C(O)(C(=O)OC)CC2=O)OC(C)(C)C=C4
InChIInChI=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+
InChIKeyDHSZUELPJXKISQ-PKNBQFBNSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
35015110ChemSpider
HMDB0041125HMDB