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CHEBI:212151 - Erythrazole B

ChEBI IDCHEBI:212151
ChEBI NameErythrazole B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44N2O7S
Net Charge0
Average Mass612.789
Monoisotopic Mass612.28692
SMILESCOc1cc2nc(C(=O)NCC(=O)O)sc2c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC/C(C)=C\CC(=O)O)c1O
InChIInChI=1S/C33H44N2O7S/c1-21(9-6-10-22(2)12-8-14-24(4)16-18-28(36)37)11-7-13-23(3)15-17-25-30(40)27(42-5)19-26-31(25)43-33(35-26)32(41)34-20-29(38)39/h10-11,15-16,19,40H,6-9,12-14,17-18,20H2,1-5H3,(H,34,41)(H,36,37)(H,38,39)/b21-11+,22-10+,23-15+,24-16-
InChIKeyZYIFWTDXOSUKLM-QFIYVEOGSA-N
Species of MetaboliteComponentSourceComments
Erythrobacter (ncbitaxon:1041) - DOI (10.1021/ol202944g)
ChEBI Ontology
Outgoing Relation(s)
Erythrazole B (CHEBI:212151) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3Z,8E,12E,16E)-18-[2-(carboxymethylcarbamoyl)-6-hydroxy-5-methoxy-1,3-benzothiazol-7-yl]-4,8,12,16-tetramethyloctadeca-3,8,12,16-tetraenoic acid
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