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CHEBI:199457 - Nigrospin C

ChEBI IDCHEBI:199457
ChEBI NameNigrospin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O5
Net Charge0
Average Mass322.401
Monoisotopic Mass322.17802
SMILESCc1c(O)cc(O)c2c1[C@H](C)[C@@H](C)O[C@@H]2CC(=O)CC(C)(C)O
InChIInChI=1S/C18H26O5/c1-9-11(3)23-15(6-12(19)8-18(4,5)22)17-14(21)7-13(20)10(2)16(9)17/h7,9,11,15,20-22H,6,8H2,1-5H3/t9-,11-,15-/m1/s1
InChIKeyAUMRYRUPFUTXDO-XDMRBOTDSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - DOI (10.1016/j.tetlet.2014.03.060)
ChEBI Ontology
Outgoing Relation(s)
Nigrospin C (CHEBI:199457) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
1-[(1R,3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromen-1-yl]-4-hydroxy-4-methylpentan-2-one
Manual XrefsDatabases
32675110ChemSpider