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CHEBI:217384 - Trichotoxin B

ChEBI IDCHEBI:217384
ChEBI NameTrichotoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31ClO
Net Charge0
Average Mass322.920
Monoisotopic Mass322.20634
SMILESC#CCCCCC/C(=C/Cl)CC[C@H](C)/C=C(\C)[C@H](O)CC=C
InChIInChI=1S/C20H31ClO/c1-5-7-8-9-10-12-19(16-21)14-13-17(3)15-18(4)20(22)11-6-2/h1,6,15-17,20,22H,2,7-14H2,3-4H3/b18-15+,19-16-/t17-,20+/m0/s1
InChIKeyWKRSVZWXGDTWNJ-UELXYIEESA-N
Species of MetaboliteComponentSourceComments
Trichodesmium thiebautii (ncbitaxon:1208) - DOI (10.1016/j.tetlet.2016.11.062)
ChEBI Ontology
Outgoing Relation(s)
Trichotoxin B (CHEBI:217384) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(4R,5E,7S,10Z)-10-(chloromethylidene)-5,7-dimethylheptadeca-1,5-dien-16-yn-4-ol
Manual XrefsDatabases
78443339ChemSpider