CHEBI:189516 - 5,8-dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-o-(3,4,5-trihydroxybenzoyl)-beta-d-glucopyranoside

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ChEBI Name 5,8-dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-o-(3,4,5-trihydroxybenzoyl)-beta-d-glucopyranoside
ChEBI ID CHEBI:189516
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O13
Net Charge 0
Average Mass 508.432
Monoisotopic Mass 508.12169
InChI InChI=1S/C23H24O13/c24-9-1-2-11(26)17-14(4-3-10(25)16(9)17)35-23-21(32)20(31)19(30)15(36-23)7-34-22(33)8-5-12(27)18(29)13(28)6-8/h1-2,5-6,14-15,19-21,23-24,26-32H,3-4,7H2/t14?,15-,19-,20+,21-,23-/m1/s1
InChIKey LWONLPZQFYNCMG-ATSIEDNJSA-N
SMILES O1[C@@H](OC2CCC(=O)C=3C2=C(O)C=CC3O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1COC(=O)C4=CC(O)=C(O)C(O)=C4
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 5,8-dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-o-(3,4,5-trihydroxybenzoyl)-beta-d-glucopyranoside (CHEBI:189516) is a gallate ester (CHEBI:37576)
IUPAC Name
[(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual Xref Database
29814794 ChemSpider
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