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CHEBI:228037 - Austalide H acid ethyl ester

ChEBI IDCHEBI:228037
ChEBI NameAustalide H acid ethyl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O8
Net Charge0
Average Mass490.593
Monoisotopic Mass490.25667
SMILESCCOC(=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/C27H38O8/c1-8-33-19(29)9-10-26(5)18-11-15-21(14(2)16-13-34-24(30)20(16)22(15)32-7)35-27(18,6)12-17(28)23(26)25(3,4)31/h17-18,23,28,31H,8-13H2,1-7H3/t17-,18-,23+,26-,27+/m1/s1
InChIKeyDWQVPHNYCYVOIZ-YZXBTVPESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2015.10.016)
ChEBI Ontology
Outgoing Relation(s)
Austalide H acid ethyl ester (CHEBI:228037) is a xanthenes (CHEBI:38835)
IUPAC Name 
ethyl 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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