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CHEBI:209046 - Nigrospine

ChEBI IDCHEBI:209046
ChEBI NameNigrospine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25NO7
Net Charge0
Average Mass367.398
Monoisotopic Mass367.16310
SMILESCc1c([C@H](C)[C@@H](C)O)cc2c(c1O)[C@@]1(O)C(=O)N(C)[C@@H]([C@@H](C)O)[C@]1(O)O2
InChIInChI=1S/C18H25NO7/c1-7(9(3)20)11-6-12-13(14(22)8(11)2)17(24)16(23)19(5)15(10(4)21)18(17,25)26-12/h6-7,9-10,15,20-22,24-25H,1-5H3/t7-,9-,10-,15+,17-,18+/m1/s1
InChIKeyJELWCSRCEBMYQY-NFCVBWQWSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - DOI (10.1016/j.tetlet.2014.03.060)
ChEBI Ontology
Outgoing Relation(s)
Nigrospine (CHEBI:209046) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(3S,3aS,8bS)-3a,8,8b-trihydroxy-6-[(2S,3R)-3-hydroxybutan-2-yl]-3-[(1R)-1-hydroxyethyl]-2,7-dimethyl-3H-[1]benzouro[2,3-c]pyrrol-1-one
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30974154ChemSpider