CHEBI:168490 - 3-(1,2,4-trihydroxybutyl)-1H-isochromen-1-one

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ChEBI Name 3-(1,2,4-trihydroxybutyl)-1H-isochromen-1-one
ChEBI ID CHEBI:168490
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H14O5
Net Charge 0
Average Mass 250.250
Monoisotopic Mass 250.08412
InChI InChI=1S/C13H14O5/c14-6-5-10(15)12(16)11-7-8-3-1-2-4-9(8)13(17)18-11/h1-4,7,10,12,14-16H,5-6H2
InChIKey CKSDGJUQTUSXKR-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)CCO)=CC=2C(C1=O)=CC=CC2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3-(1,2,4-trihydroxybutyl)-1H-isochromen-1-one (CHEBI:168490) is a isocoumarins (CHEBI:38758)
IUPAC Name
3-(1,2,4-trihydroxybutyl)isochromen-1-one
Manual Xrefs Databases
74852727 ChemSpider
HMDB0130064 HMDB
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