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CHEBI:203534 - Cyanobacterin

ChEBI IDCHEBI:203534
ChEBI NameCyanobacterin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23ClO6
Net Charge0
Average Mass430.884
Monoisotopic Mass430.11832
SMILESCOc1ccc(/C=C2\OC(=O)[C@H](Cc3cc(Cl)c4c(c3)OCO4)[C@]2(O)C(C)C)cc1
InChIInChI=1S/C23H23ClO6/c1-13(2)23(26)17(8-15-9-18(24)21-19(10-15)28-12-29-21)22(25)30-20(23)11-14-4-6-16(27-3)7-5-14/h4-7,9-11,13,17,26H,8,12H2,1-3H3/b20-11-/t17-,23+/m0/s1
InChIKeyYYPUQBCQRSMSKU-YLBRSAIOSA-N
Species of MetaboliteComponentSourceComments
Scytonema hofmannii (ncbitaxon:34078) - DOI (10.1021/jo00170a032)
ChEBI Ontology
Outgoing Relation(s)
Cyanobacterin (CHEBI:203534) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(3R,4R,5Z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one
Manual XrefsDatabases
4942365ChemSpider