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CHEBI:218293 - 17-O-demethylaustalide B

ChEBI IDCHEBI:218293
ChEBI Name17-O-demethylaustalide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O8
Net Charge0
Average Mass460.523
Monoisotopic Mass460.20972
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@]34O[C@](O)(CC[C@]3(C)[C@H]1C2)OC4(C)C
InChIInChI=1S/C25H32O8/c1-12-14-11-30-20(27)17(14)19(29-6)13-9-15-22(4)7-8-24(28)32-21(2,3)25(22,33-24)16(26)10-23(15,5)31-18(12)13/h15-16,26,28H,7-11H2,1-6H3/t15-,16-,22-,23+,24+,25-/m1/s1
InChIKeyZFKOTULZHLMUJE-VCLZEFBQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
17-O-demethylaustalide B (CHEBI:218293) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,2R,4S,16R,17R,20S)-2,20-dihydroxy-13-methoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Manual XrefsDatabases
32674950ChemSpider