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CHEBI:204825 - Pestalofone D

ChEBI IDCHEBI:204825
ChEBI NamePestalofone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H36O10
Net Charge0
Average Mass592.641
Monoisotopic Mass592.23085
SMILESCOC(=O)c1cc(OC)cc(O)c1C(=O)c1c(O)cc(C)c2c1O[C@](C)(C=C=C1C[C@H](O)[C@@H]3O[C@]3(CC=C(C)C)[C@@H]1O)C2
InChIInChI=1S/C33H36O10/c1-16(2)7-10-33-29(38)18(12-24(36)30(33)43-33)8-9-32(4)15-21-17(3)11-22(34)26(28(21)42-32)27(37)25-20(31(39)41-6)13-19(40-5)14-23(25)35/h7,9,11,13-14,24,29-30,34-36,38H,10,12,15H2,1-6H3/t8?,24-,29+,30-,32+,33+/m0/s1
InChIKeyIMEWWJOCRJGIRI-XBWSJEIJSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (19101157)
ChEBI Ontology
Outgoing Relation(s)
Pestalofone D (CHEBI:204825) is a benzophenones (CHEBI:22726)
IUPAC Name 
methyl 2-[(2S)-2-[2-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]ethenyl]-6-hydroxy-2,4-dimethyl-3H-1-benzouran-7-carbonyl]-3-hydroxy-5-methoxybenzoate
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78437199ChemSpider