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CHEBI:201237 - Roseopurpurin A

ChEBI IDCHEBI:201237
ChEBI NameRoseopurpurin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O8
Net Charge0
Average Mass366.366
Monoisotopic Mass366.13147
SMILESCO[C@@]1(C)[C@H](O)C(O)=C(C)C(=O)[C@@H]1Oc1c(C)c(O)cc(C)c1C(=O)O
InChIInChI=1S/C18H22O8/c1-7-6-10(19)8(2)14(11(7)17(23)24)26-16-13(21)9(3)12(20)15(22)18(16,4)25-5/h6,15-16,19-20,22H,1-5H3,(H,23,24)/t15-,16+,18+/m1/s1
InChIKeyOFAIPEZAGBTTCZ-RYRKJORJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27537356)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Roseopurpurin A (CHEBI:201237) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
2-[(1R,5R,6S)-4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl]oxy-4-hydroxy-3,6-dimethylbenzoic acid
Manual XrefsDatabases
78440103ChemSpider