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CHEBI:225623 - A-503451 B

ChEBI IDCHEBI:225623
ChEBI NameA-503451 B
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FormulaC19H27NO4
Net Charge0
Average Mass333.428
Monoisotopic Mass333.19401
SMILESCOC[C@](O)(CCC(C)=C(C)C)[C@H]1Cc2cc(C(=O)O)ccc2N1
InChIInChI=1S/C19H27NO4/c1-12(2)13(3)7-8-19(23,11-24-4)17-10-15-9-14(18(21)22)5-6-16(15)20-17/h5-6,9,17,20,23H,7-8,10-11H2,1-4H3,(H,21,22)/t17-,19-/m1/s1
InChIKeyIBAWHJBEMWQXFJ-IEBWSBKVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
A-503451 B (CHEBI:225623) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R)-2-[(2S)-2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxylic acid
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