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CHEBI:225446 - Porosuphenol B

ChEBI IDCHEBI:225446
ChEBI NamePorosuphenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O6
Net Charge0
Average Mass458.595
Monoisotopic Mass458.26684
SMILESCOc1cc(O)cc(CC(C)=O)c1C[C@@H](C)C(=O)[C@@H](C)C(=O)/C(C)=C/C(C)=C/[C@H](C)[C@H](C)O
InChIInChI=1S/C27H38O6/c1-15(9-16(2)21(7)29)10-17(3)26(31)20(6)27(32)18(4)11-24-22(12-19(5)28)13-23(30)14-25(24)33-8/h9-10,13-14,16,18,20-21,29-30H,11-12H2,1-8H3/b15-9+,17-10+/t16-,18+,20-,21-/m0/s1
InChIKeyBGHJKGLKXACHPT-LQNJGUKQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus porosus (ncbitaxon:1924929) - PubMed (31557023)
ChEBI Ontology
Outgoing Relation(s)
Porosuphenol B (CHEBI:225446) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,4R,6E,8E,10S,11S)-11-hydroxy-1-[4-hydroxy-2-methoxy-6-(2-oxopropyl)phenyl]-2,4,6,8,10-pentamethyldodeca-6,8-diene-3,5-dione
Manual XrefsDatabases
81361131ChemSpider