EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227080 - Heronapyrrole D

ChEBI IDCHEBI:227080
ChEBI NameHeronapyrrole D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30N2O5
Net Charge0
Average Mass366.458
Monoisotopic Mass366.21547
SMILESC/C(=C\Cc1cnc([N+](=O)[O-])c1)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C19H30N2O5/c1-13(5-7-14-11-17(20-12-14)21(24)25)6-8-15(22)19(4)10-9-16(26-19)18(2,3)23/h5,11-12,15-16,20,22-23H,6-10H2,1-4H3/b13-5+/t15-,16+,19+/m0/s1
InChIKeyWMFCSPLVMATJPZ-ODGOHVSMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24991272)
ChEBI Ontology
Outgoing Relation(s)
Heronapyrrole D (CHEBI:227080) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E,1S)-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methyl-6-(5-nitro-1H-pyrrol-3-yl)hex-4-en-1-ol
Manual XrefsDatabases
32674576ChemSpider