EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211455 - Aspergimarin D

ChEBI IDCHEBI:211455
ChEBI NameAspergimarin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H](CCC[C@H](C)O)C2
InChIInChI=1S/C16H22O5/c1-10(17)5-4-6-12-9-11-7-8-13(19-2)15(20-3)14(11)16(18)21-12/h7-8,10,12,17H,4-6,9H2,1-3H3/t10-,12+/m0/s1
InChIKeyKTMWWUGHLYSPIG-CMPLNLGQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31921029)
ChEBI Ontology
Outgoing Relation(s)
Aspergimarin D (CHEBI:211455) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-3-[(4S)-4-hydroxypentyl]-7,8-dimethoxy-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
81363685ChemSpider