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CHEBI:212155 - Pafuranone B

ChEBI IDCHEBI:212155
ChEBI NamePafuranone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O8
Net Charge0
Average Mass522.594
Monoisotopic Mass522.22537
SMILESCC/C=C/C=C/[C@@]1(C)OC(C[C@H](C)c2c(C)oc(=O)c3c2O[C@](C)(/C=C/C=C/CC)C3=O)=C(C(=O)O)C1=O
InChIInChI=1S/C30H34O8/c1-7-9-11-13-15-29(5)25(31)22(27(33)34)20(37-29)17-18(3)21-19(4)36-28(35)23-24(21)38-30(6,26(23)32)16-14-12-10-8-2/h9-16,18H,7-8,17H2,1-6H3,(H,33,34)/b11-9+,12-10+,15-13+,16-14+/t18-,29+,30+/m0/s1
InChIKeySEXVUFSUQVYADQ-ONWZOXCFSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - DOI (10.1016/j.cclet.2019.01.034)
ChEBI Ontology
Outgoing Relation(s)
Pafuranone B (CHEBI:212155) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-2-[(2S)-2-[(2R)-2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-3,4-dioxouro[3,2-c]pyran-7-yl]propyl]-5-methyl-4-oxouran-3-carboxylic acid
Manual XrefsDatabases
80564755ChemSpider