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CHEBI:217176 - Aranazole B

ChEBI IDCHEBI:217176
ChEBI NameAranazole B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33Cl6NO5S
Net Charge0
Average Mass660.315
Monoisotopic Mass657.02106
SMILESCCC(Cl)CC(Cl)/C=C\C(Cl)C(O)C(Cl)C(Cl)C(Cl)CC1OCO[C@@H](C(O)c2nc(C(C)=O)cs2)C1C
InChIInChI=1S/C24H33Cl6NO5S/c1-4-13(25)7-14(26)5-6-15(27)21(33)20(30)19(29)16(28)8-18-11(2)23(36-10-35-18)22(34)24-31-17(9-37-24)12(3)32/h5-6,9,11,13-16,18-23,33-34H,4,7-8,10H2,1-3H3/b6-5-/t11?,13?,14?,15?,16?,18?,19?,20?,21?,22?,23-/m1/s1
InChIKeyRYSXYKPCSNNWNU-FEGSPAFFSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies PCC 9339 (ncbitaxon:1174528) - PubMed (30141631)
ChEBI Ontology
Outgoing Relation(s)
Aranazole B (CHEBI:217176) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-[2-[[(4R)-6-[(Z)-2,3,4,6,9,11-hexachloro-5-hydroxytridec-7-enyl]-5-methyl-1,3-dioxan-4-yl]-hydroxymethyl]-1,3-thiazol-4-yl]ethanone
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