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CHEBI:206002 - Rigidiusculamide D

ChEBI IDCHEBI:206002
ChEBI NameRigidiusculamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25NO5
Net Charge0
Average Mass335.400
Monoisotopic Mass335.17327
SMILESCN1C(=O)[C@@](C)(O)[C@@H](O)[C@@H]1Cc1ccc2c(c1)CC(C(C)(C)O)O2
InChIInChI=1S/C18H25NO5/c1-17(2,22)14-9-11-7-10(5-6-13(11)24-14)8-12-15(20)18(3,23)16(21)19(12)4/h5-7,12,14-15,20,22-23H,8-9H2,1-4H3/t12-,14?,15-,18-/m0/s1
InChIKeyYSTJGABLVSIEEQ-UJILACHPSA-N
Species of MetaboliteComponentSourceComments
Fusarium decemcellulare (ncbitaxon:57161) - PubMed (19919065)
ChEBI Ontology
Outgoing Relation(s)
Rigidiusculamide D (CHEBI:206002) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(3S,4S,5S)-3,4-dihydroxy-5-[[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]methyl]-1,3-dimethylpyrrolidin-2-one
Manual XrefsDatabases
24659739ChemSpider