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CHEBI:201761 - Acremonidin B

ChEBI IDCHEBI:201761
ChEBI NameAcremonidin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O11
Net Charge0
Average Mass572.522
Monoisotopic Mass572.13186
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]3O)C1=O
InChIInChI=1S/C31H24O11/c1-11-7-14-20(17(34)8-11)28(39)24-25(36)13-5-6-31(24,29(14)40)10-12-9-18(35)23(26(37)19(12)13)27(38)21-15(32)3-4-16(33)22(21)30(41)42-2/h3-9,13,29,32-35,37,39-40H,10H2,1-2H3/t13-,29+,31+/m1/s1
InChIKeyHIABMWDNEAHXTD-QWVXRVACSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (14763558)
ChEBI Ontology
Outgoing Relation(s)
Acremonidin B (CHEBI:201761) is a benzophenones (CHEBI:22726)
IUPAC Name 
methyl 3,6-dihydroxy-2-[(1R,2S,12R)-2,7,9,14,16-pentahydroxy-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]benzoate
Manual XrefsDatabases
78440112ChemSpider