CHEBI:227090 - Jiangrine D

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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 Jiangrine D
ChEBI ID CHEBI:227090
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H21NO5
Net Charge 0
Average Mass 319.357
Monoisotopic Mass 319.14197
InChI InChI=1S/C17H21NO5/c1-23-17(16(22)11-20)15-7-4-13(10-19)18(15)9-8-12-2-5-14(21)6-3-12/h2-7,10,16-17,20-22H,8-9,11H2,1H3/t16-,17+/m1/s1
InChIKey BRXGBJMQZQFKJV-SJORKVTESA-N
SMILES O=CC=1N(C([C@H](OC)[C@H](O)CO)=CC1)CCC2=CC=C(O)C=C2
Metabolite of Species Details
Jiangella gansuensis (NCBI:txid281473) See: PubMed
ChEBI Ontology
Outgoing Jiangrine D (CHEBI:227090) is a phenols (CHEBI:33853)
IUPAC Name
5-[(1S,2R)-2,3-dihydroxy-1-methoxypropyl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
Manual Xref Database
58128089 ChemSpider
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