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CHEBI:172535 - ACRL Toxin II

ChEBI IDCHEBI:172535
ChEBI NameACRL Toxin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESC/C=C(\C)C(O)C(C)/C=C\C(O)C(C)c1cc(O)cc(=O)o1
InChIInChI=1S/C17H24O5/c1-5-10(2)17(21)11(3)6-7-14(19)12(4)15-8-13(18)9-16(20)22-15/h5-9,11-12,14,17-19,21H,1-4H3/b7-6-,10-5+
InChIKeyFDSYJSBLPXPUKP-JQEGGOPCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
ACRL Toxin II (CHEBI:172535) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6-[(4Z,8E)-3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl]-4-hydroxypyran-2-one
Manual XrefsDatabases
HMDB0030496HMDB
35013211ChemSpider