CHEBI:168389 - 2-Phenyl-1,3-dioxolane-4-methanol

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ChEBI Name 2-Phenyl-1,3-dioxolane-4-methanol
ChEBI ID CHEBI:168389
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O3
Net Charge 0
Average Mass 180.203
Monoisotopic Mass 180.07864
InChI InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey AUDDNHGBAJNKEH-UHFFFAOYSA-N
SMILES O1C(COC1C2=CC=CC=C2)CO
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 2-Phenyl-1,3-dioxolane-4-methanol (CHEBI:168389) is a benzenes (CHEBI:22712)
IUPAC Name
(2-phenyl-1,3-dioxolan-4-yl)methanol
Manual Xrefs Databases
14815 ChemSpider
HMDB0031240 HMDB
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Registry Number Type Source
1708-39-0 CAS Registry Number ChemIDplus