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CHEBI:212797 - Bulgarialactone B

ChEBI IDCHEBI:212797
ChEBI NameBulgarialactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O7
Net Charge0
Average Mass452.503
Monoisotopic Mass452.18350
SMILESCCC(C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3CC(CO)OC=C3C(=O)[C@]2(C)OC1=O
InChIInChI=1S/C26H28O7/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/h5-10,12-13,15-16,19,27,29H,4,11,14H2,1-3H3/b6-5+,9-7+,10-8+,22-13-/t16?,19?,26-/m1/s1
InChIKeyHLAVRSKKJYOJBF-DMCYUOPFSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (20655237)
ChEBI Ontology
Outgoing Relation(s)
Bulgarialactone B (CHEBI:212797) 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-5,6-dihydrouro[3,2-g]isochromene-2,9-dione
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