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CHEBI:198894 - Ochroleucin B

ChEBI IDCHEBI:198894
ChEBI NameOchroleucin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O5
Net Charge0
Average Mass390.435
Monoisotopic Mass390.14672
SMILESC=C(C)C#CC1=CC(=O)[C@@H]2c3c(c(OC)cc(C#CC(=C)C)c3OC)CO[C@]12O
InChIInChI=1S/C24H22O5/c1-14(2)7-9-16-11-20(27-5)18-13-29-24(26)17(10-8-15(3)4)12-19(25)22(24)21(18)23(16)28-6/h11-12,22,26H,1,3,13H2,2,4-6H3/t22-,24-/m1/s1
InChIKeyNVAXVAHLELUTAE-ISKFKSNPSA-N
Species of MetaboliteComponentSourceComments
Russula ochroleuca (ncbitaxon:152965) - DOI (10.1002/ejoc.200500714)
ChEBI Ontology
Outgoing Relation(s)
Ochroleucin B (CHEBI:198894) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3aS,9bS)-3a-hydroxy-6,9-dimethoxy-3,8-bis(3-methylbut-3-en-1-ynyl)-5,9b-dihydrocyclopenta[c]isochromen-1-one
Manual XrefsDatabases
9835824ChemSpider