CHEBI:190852 - 3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:190852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O11
Net Charge 0
Average Mass 478.450
Monoisotopic Mass 478.14751
InChI InChI=1S/C23H26O11/c1-4-5-9-6-14(24)33-19-10-7-13(23(2,3)30)31-11(10)8-12(15(9)19)32-22-18(27)16(25)17(26)20(34-22)21(28)29/h4,6,8,13,16-18,20,22,25-27,30H,1,5,7H2,2-3H3,(H,28,29)
InChIKey RULBBRGYIDQXEW-UHFFFAOYSA-N
SMILES O1C(CC=2C1=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C4C2OC(=O)C=C4CC=C)C(O)(C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:190852) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:190852) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[[8-(2-hydroxypropan-2-yl)-2-oxo-4-prop-2-enyl-8,9-dihydrouro[2,3-h]chromen-5-yl]oxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0130146 HMDB
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