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CHEBI:212025 - 7-Hydroxyl-O-demethylbenzastatin A

ChEBI IDCHEBI:212025
ChEBI Name7-Hydroxyl-O-demethylbenzastatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25NO3
Net Charge0
Average Mass303.402
Monoisotopic Mass303.18344
SMILESCC(C)=C(C)CC/C(=C/Cc1cc(C(=O)O)ccc1N)CO
InChIInChI=1S/C18H25NO3/c1-12(2)13(3)4-5-14(11-20)6-7-15-10-16(18(21)22)8-9-17(15)19/h6,8-10,20H,4-5,7,11,19H2,1-3H3,(H,21,22)/b14-6-
InChIKeyTVVPFXOGAFIPRJ-NSIKDUERSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jacs.8b02769)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxyl-O-demethylbenzastatin A (CHEBI:212025) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
4-amino-3-[(2Z)-3-(hydroxymethyl)-6,7-dimethylocta-2,6-dienyl]benzoic acid