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CHEBI:223095 - Acremonidin H

ChEBI IDCHEBI:223095
ChEBI NameAcremonidin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H24O13
Net Charge0
Average Mass616.531
Monoisotopic Mass616.12169
SMILESCC(=O)O[C@H]1c2cc(C)cc(O)c2C(=O)[C@@]2(O)C(=O)[C@H]3C=C[C@@]12Cc1cc(O)c(C(=O)c2c(O)ccc(O)c2C(=O)O)c(O)c13
InChIInChI=1S/C32H24O13/c1-11-7-15-21(18(36)8-11)28(41)32(44)27(40)14-5-6-31(32,29(15)45-12(2)33)10-13-9-19(37)24(25(38)20(13)14)26(39)22-16(34)3-4-17(35)23(22)30(42)43/h3-9,14,29,34-38,44H,10H2,1-2H3,(H,42,43)/t14-,29-,31+,32-/m0/s1
InChIKeyAOBGBONIDGJEKD-WSPALHTPSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - DOI (10.1016/j.tet.2016.01.043)
ChEBI Ontology
Outgoing Relation(s)
Acremonidin H (CHEBI:223095) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-[(1S,2S,10S,12S)-2-acetyloxy-7,10,14,16-tetrahydroxy-5-methyl-9,11-dioxopentacyclo[10.7.2.01,10.03,8.013,18]henicosa-3(8),4,6,13,15,17,20-heptaene-15-carbonyl]-3,6-dihydroxybenzoic acid