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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > [1-ethyl-8-(hydroxymethyl)-3h,4h,9h-pyrano[3,4-b]indol-1-yl]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > [1-ethyl-8-(hydroxymethyl)-3h,4h,9h-pyrano[3,4-b]indol-1-yl]acetic acid

Preferred term

[1-ethyl-8-(hydroxymethyl)-3h,4h,9h-pyrano[3,4-b]indol-1-yl]acetic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C16H19NO4

inchi

  • InChI=1S/C16H19NO4/c1-2-16(8-13(19)20)15-12(6-7-21-16)11-5-3-4-10(9-18)14(11)17-15/h3-5,17-18H,2,6-9H2,1H3,(H,19,20)/t16-/m0/s1

inchikey

  • HIEGNHLFLGNPQE-INIZCTEOSA-N

mass

  • 289.327

monoisotopicmass

  • 289.131

smiles

  • O=C(O)C[C@@]1(OCCC2=C1NC=3C(=CC=CC23)CO)CC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143370

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