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CHEBI:198558 - Acremonidin A

ChEBI IDCHEBI:198558
ChEBI NameAcremonidin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H26O12
Net Charge0
Average Mass614.559
Monoisotopic Mass614.14243
SMILESCOC(=O)c1c(O)ccc(O)c1C(=O)c1c(O)cc2c(c1O)[C@@H]1C=C[C@]3(C2)C(=C(O)c2c(O)cc(C)cc2[C@@H]3OC(C)=O)C1=O
InChIInChI=1S/C33H26O12/c1-12-8-16-22(19(37)9-12)30(42)26-27(39)15-6-7-33(26,31(16)45-13(2)34)11-14-10-20(38)25(28(40)21(14)15)29(41)23-17(35)4-5-18(36)24(23)32(43)44-3/h4-10,15,31,35-38,40,42H,11H2,1-3H3/t15-,31-,33-/m0/s1
InChIKeyOFAIMNXQEZOWPU-RXKIPKFJSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (14763558)
ChEBI Ontology
Outgoing Relation(s)
Acremonidin A (CHEBI:198558) is a benzophenones (CHEBI:22726)
IUPAC Name 
methyl 2-[(1R,2S,12S)-2-acetyloxy-7,9,14,16-tetrahydroxy-5-methyl-11-oxopentacyclo[10.7.2.01,10.03,8.013,18]henicosa-3(8),4,6,9,13,15,17,20-octaene-15-carbonyl]-3,6-dihydroxybenzoate
Manual XrefsDatabases
10146457ChemSpider