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CHEBI:225667 - Benwamycin G

ChEBI IDCHEBI:225667
ChEBI NameBenwamycin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCCC1=CC(=O)[C@@H](C)[C@@H]([C@@H](C)c2ccc(CO)cc2/C=C/CO)O1
InChIInChI=1S/C20H26O4/c1-4-17-11-19(23)14(3)20(24-17)13(2)18-8-7-15(12-22)10-16(18)6-5-9-21/h5-8,10-11,13-14,20-22H,4,9,12H2,1-3H3/b6-5+/t13-,14+,20+/m0/s1
InChIKeyQQUATXMTFHAAFC-FZVHOESVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31904958)
ChEBI Ontology
Outgoing Relation(s)
Benwamycin G (CHEBI:225667) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2R,3S)-6-ethyl-2-[(1S)-1-[4-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]phenyl]ethyl]-3-methyl-2,3-dihydropyran-4-one
Manual XrefsDatabases
128438641ChemSpider