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CHEBI:224553 - Echoside D

ChEBI IDCHEBI:224553
ChEBI NameEchoside D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H21NO8S
Net Charge0
Average Mass495.509
Monoisotopic Mass495.09879
SMILESO=C(O)[C@H]1O[C@@H](Oc2c(O)c(-c3ccccc3)c3scnc3c2-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H21NO8S/c27-17-15(13-9-5-2-6-10-13)23-16(26-11-35-23)14(12-7-3-1-4-8-12)21(17)33-25-20(30)18(28)19(29)22(34-25)24(31)32/h1-11,18-20,22,25,27-30H,(H,31,32)/t18-,19-,20+,22-,25+/m0/s1
InChIKeyXQEMVDKXSBBLLC-QDSRYJPQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LZ35 (ncbitaxon:1245024) - PubMed (24507923)
ChEBI Ontology
Outgoing Relation(s)
Echoside D (CHEBI:224553) is a para-terphenyl (CHEBI:75874)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6-hydroxy-4,7-diphenyl-1,3-benzothiazol-5-yl)oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
31141639ChemSpider