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CHEBI:212146 - Erythrazole A

ChEBI IDCHEBI:212146
ChEBI NameErythrazole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42N2O7S
Net Charge0
Average Mass586.751
Monoisotopic Mass586.27127
SMILESCOc1cc2nc(C(=O)NCC(=O)O)sc2c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC[C@H](C)C(=O)O)c1O
InChIInChI=1S/C31H42N2O7S/c1-19(9-6-10-20(2)13-8-14-22(4)31(38)39)11-7-12-21(3)15-16-23-27(36)25(40-5)17-24-28(23)41-30(33-24)29(37)32-18-26(34)35/h10-11,15,17,22,36H,6-9,12-14,16,18H2,1-5H3,(H,32,37)(H,34,35)(H,38,39)/b19-11+,20-10+,21-15+/t22-/m0/s1
InChIKeyBWBXJAHQKZPMSE-JVRDZCOLSA-N
Species of MetaboliteComponentSourceComments
Erythrobacter (ncbitaxon:1041) - DOI (10.1021/ol202944g)
ChEBI Ontology
Outgoing Relation(s)
Erythrazole A (CHEBI:212146) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(6E,10E,14E)-16-[2-(carboxymethylcarbamoyl)-6-hydroxy-5-methoxy-1,3-benzothiazol-7-yl]-2,6,10,14-tetramethylhexadeca-6,10,14-trienoic acid
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