EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205065 - Paraphaeosphaeride C

ChEBI IDCHEBI:205065
ChEBI NameParaphaeosphaeride C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21NO4
Net Charge0
Average Mass267.325
Monoisotopic Mass267.14706
SMILESC=C1NC(=O)C2=C1O[C@@H](CCCCC)[C@](C)(O)[C@H]2O
InChIInChI=1S/C14H21NO4/c1-4-5-6-7-9-14(3,18)12(16)10-11(19-9)8(2)15-13(10)17/h9,12,16,18H,2,4-7H2,1,3H3,(H,15,17)/t9-,12-,14-/m0/s1
InChIKeyBFRMUWSVGIMJSJ-WFBYXXMGSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - PubMed (26107089)
ChEBI Ontology
Outgoing Relation(s)
Paraphaeosphaeride C (CHEBI:205065) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2S,3R,4S)-3,4-dihydroxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one
Manual XrefsDatabases
35000192ChemSpider