CHEBI:225652 - Benwamycin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Benwamycin D
ChEBI ID CHEBI:225652
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.439
Monoisotopic Mass 348.19367
InChI InChI=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
InChIKey KXWCDNGXRAPJLE-XSMXVWRTSA-N
SMILES O=C(O[C@H]([C@H](C1=C(C=C(CO)C=C1)/C=C/CO)C)[C@@H](C(=O)C)C)CC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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