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CHEBI:205031 - Nigrospin B

ChEBI IDCHEBI:205031
ChEBI NameNigrospin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCC(C)=CC(=O)C[C@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c(C(=O)O)c(O)c21
InChIInChI=1S/C19H24O6/c1-8(2)6-12(20)7-13-15-14(9(3)11(5)25-13)10(4)17(21)16(18(15)22)19(23)24/h6,9,11,13,21-22H,7H2,1-5H3,(H,23,24)/t9-,11-,13-/m1/s1
InChIKeyLIWASYWKADUSSY-IRUJWGPZSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - DOI (10.1016/j.tetlet.2014.03.060)
ChEBI Ontology
Outgoing Relation(s)
Nigrospin B (CHEBI:205031) is a benzenes (CHEBI:22712)
Nigrospin B (CHEBI:205031) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1R,3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-(4-methyl-2-oxopent-3-enyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
Manual XrefsDatabases
32675109ChemSpider