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CHEBI:225652 - Benwamycin D

ChEBI IDCHEBI:225652
ChEBI NameBenwamycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESCCC(=O)O[C@@H]([C@H](C)C(C)=O)[C@@H](C)c1ccc(CO)cc1/C=C/CO
InChIInChI=1S/C20H28O5/c1-5-19(24)25-20(13(2)15(4)23)14(3)18-9-8-16(12-22)11-17(18)7-6-10-21/h6-9,11,13-14,20-22H,5,10,12H2,1-4H3/b7-6+/t13-,14+,20+/m1/s1
InChIKeyKXWCDNGXRAPJLE-XSMXVWRTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31904958)
ChEBI Ontology
Outgoing Relation(s)
Benwamycin D (CHEBI:225652) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(2S,3R,4S)-2-[4-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-5-oxohexan-3-yl] propanoate