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CHEBI:200052 - Aspinotriol B

ChEBI IDCHEBI:200052
ChEBI NameAspinotriol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESC[C@H](O)/C=C(/C=C/[C@H](C)O)CO
InChIInChI=1S/C9H16O3/c1-7(11)3-4-9(6-10)5-8(2)12/h3-5,7-8,10-12H,6H2,1-2H3/b4-3+,9-5-/t7-,8-/m0/s1
InChIKeyKWETYTFGFLMCQO-KSUZBYAFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ostianus (ncbitaxon:138279) - PubMed (17994702)
ChEBI Ontology
Outgoing Relation(s)
Aspinotriol B (CHEBI:200052) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2S,3Z,5E,7S)-4-(hydroxymethyl)octa-3,5-diene-2,7-diol
Manual XrefsDatabases
23076707ChemSpider