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CHEBI:209441 - Daldinan B

ChEBI IDCHEBI:209441
ChEBI NameDaldinan B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO7
Net Charge0
Average Mass373.361
Monoisotopic Mass373.11615
SMILESCOc1cc(C)cc([C@@H]2c3cc(O)cc(OC)c3C(=O)N2CC(=O)O)c1O
InChIInChI=1S/C19H19NO7/c1-9-4-12(18(24)14(5-9)27-3)17-11-6-10(21)7-13(26-2)16(11)19(25)20(17)8-15(22)23/h4-7,17,21,24H,8H2,1-3H3,(H,22,23)/t17-/m0/s1
InChIKeyMBLXGHZGBFIPBW-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (29715021)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Daldinan B (CHEBI:209441) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
2-[6-hydroxy-1-(2-hydroxy-3-methoxy-5-methylphenyl)-4-methoxy-3-oxo-1H-isoindol-2-yl]acetic acid
Manual XrefsDatabases
78435237ChemSpider