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CHEBI:227228 - Harzianoic acid B

Default Structure
ChEBI IDCHEBI:227228
ChEBI NameHarzianoic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O7
Net Charge0
Average Mass314.334
Monoisotopic Mass314.13655
SMILESCC(=CCC[C@]1(C)[C@@H](C(=O)O)C[C@H]1[C@](C)(O)C(=O)O)C(=O)O
InChIInChI=1S/C15H22O7/c1-8(11(16)17)5-4-6-14(2)9(12(18)19)7-10(14)15(3,22)13(20)21/h5,9-10,22H,4,6-7H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10-,14-,15+/m1/s1
InChIKeyQYTRYTIHFJMWRS-IDMWTJEOSA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - PubMed (30606673)
ChEBI Ontology
Outgoing Relation(s)
Harzianoic acid B (CHEBI:227228) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,2S,3R)-3-[(1S)-1-carboxy-1-hydroxyethyl]-2-(4-carboxypent-3-enyl)-2-methylcyclobutane-1-carboxylic acid