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CHEBI:224567 - Austalide H acid butyl ester

ChEBI IDCHEBI:224567
ChEBI NameAustalide H acid butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O8
Net Charge0
Average Mass518.647
Monoisotopic Mass518.28797
SMILESCCCCOC(=O)CC[C@]1(C)[C@H]2Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]2(C)C[C@@H](O)[C@H]1C(C)(C)O
InChIInChI=1S/C29H42O8/c1-8-9-12-35-21(31)10-11-28(5)20-13-17-23(16(2)18-15-36-26(32)22(18)24(17)34-7)37-29(20,6)14-19(30)25(28)27(3,4)33/h19-20,25,30,33H,8-15H2,1-7H3/t19-,20-,25+,28-,29+/m1/s1
InChIKeyCEQALDJQYZPGBB-OORDALGHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
Austalide H acid butyl ester (CHEBI:224567) is a xanthenes (CHEBI:38835)
IUPAC Name 
butyl 3-[(5aS,7R,8S,9R,9aR)-7-hydroxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoate
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32674946ChemSpider