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CHEBI:204221 - Sargabetaopenilline C

ChEBI IDCHEBI:204221
ChEBI NameSargabetaopenilline C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O11
Net Charge0
Average Mass454.428
Monoisotopic Mass454.14751
SMILESCC(=O)OC1C2=C(CO[C@@]13O[C@@H](C)C[C@H](O)[C@@H]3OC(C)=O)C(=O)C(C)(OC(C)=O)C(=O)C2
InChIInChI=1S/C21H26O11/c1-9-6-15(25)19(30-11(3)23)21(31-9)18(29-10(2)22)13-7-16(26)20(5,32-12(4)24)17(27)14(13)8-28-21/h9,15,18-19,25H,6-8H2,1-5H3/t9-,15-,18?,19-,20?,21+/m0/s1
InChIKeyBLUKNYPPXACRML-SGEUHFFASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25501795)
ChEBI Ontology
Outgoing Relation(s)
Sargabetaopenilline C (CHEBI:204221) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(3R,3'S,4'S,6'S)-4,7-diacetyloxy-4'-hydroxy-6',7-dimethyl-6,8-dioxospiro[4,5-dihydro-1H-isochromene-3,2'-oxane]-3'-yl] acetate
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34982095ChemSpider