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CHEBI:217187 - Aranazole D

ChEBI IDCHEBI:217187
ChEBI NameAranazole D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35Cl4NO6S
Net Charge0
Average Mass619.435
Monoisotopic Mass617.09392
SMILESCCC(Cl)C/C=C/C(O)[C@H]1O[C@@H]1C(Cl)C(Cl)C(Cl)CC1OCO[C@@H](C(OC)c2nc(C(C)=O)cs2)C1C
InChIInChI=1S/C25H35Cl4NO6S/c1-5-14(26)7-6-8-17(32)22-23(36-22)20(29)19(28)15(27)9-18-12(2)21(35-11-34-18)24(33-4)25-30-16(10-37-25)13(3)31/h6,8,10,12,14-15,17-24,32H,5,7,9,11H2,1-4H3/b8-6+/t12?,14?,15?,17?,18?,19?,20?,21-,22-,23-,24?/m1/s1
InChIKeyAUXCARRWWRCVMM-RLLHKOTFSA-N
Species of MetaboliteComponentSourceComments
Fischerellaspecies PCC 9339 (ncbitaxon:1174528) - PubMed (30141631)
ChEBI Ontology
Outgoing Relation(s)
Aranazole D (CHEBI:217187) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-[2-[methoxy-[(4R)-5-methyl-6-[2,3,4-trichloro-4-[(2S,3R)-3-[(E)-5-chloro-1-hydroxyhept-2-enyl]oxiran-2-yl]butyl]-1,3-dioxan-4-yl]methyl]-1,3-thiazol-4-yl]ethanone
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