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CHEBI:216072 - Acremonidin C

ChEBI IDCHEBI:216072
ChEBI NameAcremonidin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H26O13
Net Charge0
Average Mass630.558
Monoisotopic Mass630.13734
SMILESCOC(=O)c1c(O)ccc(O)c1C(=O)c1c(O)cc2c(c1O)[C@@H]1C=C[C@@]3(C2)[C@@H](OC(C)=O)c2cc(C)cc(O)c2C(=O)C3(O)C1=O
InChIInChI=1S/C33H26O13/c1-12-8-16-22(19(37)9-12)29(42)33(44)28(41)15-6-7-32(33,30(16)46-13(2)34)11-14-10-20(38)25(26(39)21(14)15)27(40)23-17(35)4-5-18(36)24(23)31(43)45-3/h4-10,15,30,35-39,44H,11H2,1-3H3/t15-,30-,32+,33?/m0/s1
InChIKeySABTZTAQTOWIRM-KSKMTRDGSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (14763558)
ChEBI Ontology
Outgoing Relation(s)
Acremonidin C (CHEBI:216072) is a benzophenones (CHEBI:22726)
IUPAC Name 
methyl 2-[(1S,2S,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-dihydroxybenzoate
Manual XrefsDatabases
8207520ChemSpider