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CHEBI:202136 - Sargabetaopenilline D

ChEBI IDCHEBI:202136
ChEBI NameSargabetaopenilline D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O9
Net Charge0
Average Mass394.376
Monoisotopic Mass394.12638
SMILESCC(=O)OC1C2=C(CO[C@@]13O[C@@H](C)CC[C@@H]3OC(C)=O)C(O)=C(C)C(=O)C2=O
InChIInChI=1S/C19H22O9/c1-8-5-6-13(26-10(3)20)19(28-8)18(27-11(4)21)14-12(7-25-19)15(22)9(2)16(23)17(14)24/h8,13,18,22H,5-7H2,1-4H3/t8-,13-,18?,19-/m0/s1
InChIKeyGAPVYFSEIQMVDA-DTCSCGOCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25501795)
ChEBI Ontology
Outgoing Relation(s)
Sargabetaopenilline D (CHEBI:202136) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(3S,3'S,6'S)-4-acetyloxy-8-hydroxy-6',7-dimethyl-5,6-dioxospiro[1,4-dihydroisochromene-3,2'-oxane]-3'-yl] acetate
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78440123ChemSpider