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CHEBI:202100 - Daldinin C

ChEBI IDCHEBI:202100
ChEBI NameDaldinin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O10
Net Charge0
Average Mass476.478
Monoisotopic Mass476.16825
SMILESC/C=C(/C)C(=O)O[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12OC(C)CCC2OC(C)=O
InChIInChI=1S/C24H28O10/c1-7-12(2)22(29)32-21-16-10-18(27)23(6,34-15(5)26)20(28)17(16)11-30-24(21)19(31-14(4)25)9-8-13(3)33-24/h7,10-11,13,19,21H,8-9H2,1-6H3/b12-7-/t13?,19?,21-,23+,24+/m1/s1
InChIKeySCMPMWDKGKPHAZ-ZVKOEECRSA-N
Species of MetaboliteComponentSourceComments
Penicillium thymicola (ncbitaxon:293382) - DOI (10.1248/cpb.42.2397)
ChEBI Ontology
Outgoing Relation(s)
Daldinin C (CHEBI:202100) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(3R,4R,7S)-3',7-diacetyloxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-4-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
78436815ChemSpider