CHEBI:143370 - [1-ethyl-8-(hydroxymethyl)-3H,4H,9H-pyrano[3,4-b]indol-1-yl]acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [1-ethyl-8-(hydroxymethyl)-3H,4H,9H-pyrano[3,4-b]indol-1-yl]acetic acid
ChEBI ID CHEBI:143370
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C16H19NO4
Net Charge 0
Average Mass 289.327
Monoisotopic Mass 289.131
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
SMILES O=C(O)C[C@@]1(OCCC2=C1NC=3C(=CC=CC23)CO)CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [1-ethyl-8-(hydroxymethyl)-3H,4H,9H-pyrano[3,4-b]indol-1-yl]acetic acid (CHEBI:143370) is a monocarboxylic acid (CHEBI:25384)
[1-ethyl-8-(hydroxymethyl)-3H,4H,9H-pyrano[3,4-b]indol-1-yl]acetic acid (CHEBI:143370) is a organic heterotricyclic compound (CHEBI:26979)