CHEBI:188531 - 1-O-[4-(1H-Indol-3-yl)butanoyl]-D-glucopyranose

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ChEBI Name 1-O-[4-(1H-Indol-3-yl)butanoyl]-D-glucopyranose
ChEBI ID CHEBI:188531
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H23NO7
Net Charge 0
Average Mass 365.382
Monoisotopic Mass 365.14745
InChI InChI=1S/C18H23NO7/c20-9-13-15(22)16(23)17(24)18(25-13)26-14(21)7-3-4-10-8-19-12-6-2-1-5-11(10)12/h1-2,5-6,8,13,15-20,22-24H,3-4,7,9H2/t13-,15-,16+,17-,18?/m1/s1
InChIKey CIJFFKOICMQHCH-SRKZOOFXSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1OC(=O)CCCC=2C=3C(NC2)=CC=CC3)CO
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
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-O-[4-(1H-Indol-3-yl)butanoyl]-D-glucopyranose (CHEBI:188531) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name
[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-(1H-indol-3-yl)butanoate
Manual Xref Database
58829758 ChemSpider
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