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CHEBI:199200 - Acremonidin G

ChEBI IDCHEBI:199200
ChEBI NameAcremonidin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O12
Net Charge0
Average Mass588.521
Monoisotopic Mass588.12678
SMILESCOC(=O)c1c(O)ccc(O)c1C(=O)c1c(O)cc2c(c1O)[C@@H]1C=C[C@@]3(C2)[C@@H](O)c2cc(C)cc(O)c2C(=O)[C@@]3(O)C1=O
InChIInChI=1S/C31H24O12/c1-11-7-14-20(17(34)8-11)28(40)31(42)27(39)13-5-6-30(31,26(14)38)10-12-9-18(35)23(24(36)19(12)13)25(37)21-15(32)3-4-16(33)22(21)29(41)43-2/h3-9,13,26,32-36,38,42H,10H2,1-2H3/t13-,26-,30+,31-/m0/s1
InChIKeyGPEFFGLQWABASJ-SURSFUABSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - DOI (10.1016/j.tet.2016.01.043)
ChEBI Ontology
Outgoing Relation(s)
Acremonidin G (CHEBI:199200) is a benzophenones (CHEBI:22726)
IUPAC Name 
methyl 3,6-dihydroxy-2-[(1S,2S,10S,12S)-2,7,10,14,16-pentahydroxy-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]benzoate