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CHEBI:206914 - Bulgarialactone D

ChEBI IDCHEBI:206914
ChEBI NameBulgarialactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O7
Net Charge0
Average Mass454.519
Monoisotopic Mass454.19915
SMILESCCC(C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2CC3=C(COC(CO)C3)C(=O)[C@]2(C)OC1=O
InChIInChI=1S/C26H30O7/c1-4-16(2)9-7-5-6-8-10-18(28)13-22(29)23-21-12-17-11-19(14-27)32-15-20(17)24(30)26(21,3)33-25(23)31/h5-10,13,16,19,27,29H,4,11-12,14-15H2,1-3H3/b6-5+,9-7+,10-8+,22-13-/t16?,19?,26-/m1/s1
InChIKeyCKMBMKXIDJMFEL-DMCYUOPFSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (20655237)
ChEBI Ontology
Outgoing Relation(s)
Bulgarialactone D (CHEBI:206914) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(9aR)-6-(hydroxymethyl)-3-[(1Z,4E,6E,8E)-1-hydroxy-10-methyl-3-oxododeca-1,4,6,8-tetraenyl]-9a-methyl-4,5,6,8-tetrahydrouro[3,2-g]isochromene-2,9-dione
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25047222ChemSpider