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CHEBI:211465 - Aspergimarin E

ChEBI IDCHEBI:211465
ChEBI NameAspergimarin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESC[C@H](O)CCC[C@H]1OC(=O)c2c(O)cccc2[C@@H]1O
InChIInChI=1S/C14H18O5/c1-8(15)4-2-7-11-13(17)9-5-3-6-10(16)12(9)14(18)19-11/h3,5-6,8,11,13,15-17H,2,4,7H2,1H3/t8-,11+,13-/m0/s1
InChIKeyMKGJZZJGIQIYRM-KDDOJWQBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31921029)
ChEBI Ontology
Outgoing Relation(s)
Aspergimarin E (CHEBI:211465) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-4,8-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
81363686ChemSpider