CHEBI:212797 - Bulgarialactone B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bulgarialactone B
ChEBI ID CHEBI:212797
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O7
Net Charge 0
Average Mass 452.503
Monoisotopic Mass 452.18350
InChI InChI=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
InChIKey HLAVRSKKJYOJBF-DMCYUOPFSA-N
SMILES O=C1C=2C(=CC=3[C@]1(OC(=O)C3/C(/O)=C/C(=O)/C=C/C=C/C=C/C(CC)C)C)CC(CO)OC2
Metabolite of Species Details
Monascus purpureus (NCBI:txid5098) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
25044652 ChemSpider
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