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CHEBI:205933 - Daldinin D

ChEBI IDCHEBI:205933
ChEBI NameDaldinin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O10
Net Charge0
Average Mass436.413
Monoisotopic Mass436.13695
SMILESCC(=O)O[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@H]2OC(C)=O
InChIInChI=1S/C21H24O10/c1-10-6-7-17(28-11(2)22)21(30-10)19(29-12(3)23)14-8-16(25)20(5,31-13(4)24)18(26)15(14)9-27-21/h8-10,17,19H,6-7H2,1-5H3/t10-,17+,19+,20-,21-/m0/s1
InChIKeyFHJLYQODAHDGIV-YNDOHWJBSA-N
Species of MetaboliteComponentSourceComments
Penicillium thymicola (ncbitaxon:293382) - PubMed (11754624)
ChEBI Ontology
Outgoing Relation(s)
Daldinin D (CHEBI:205933) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(3R,3'R,4R,6'S,7S)-4,7-diacetyloxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-3'-yl] acetate
Manual XrefsDatabases
9319709ChemSpider