CHEBI:168237 - Jasmolone glucoside

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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 Jasmolone glucoside
ChEBI ID CHEBI:168237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O7
Net Charge 0
Average Mass 342.388
Monoisotopic Mass 342.16785
InChI InChI=1S/C17H26O7/c1-3-4-5-6-10-9(2)12(7-11(10)19)23-17-16(22)15(21)14(20)13(8-18)24-17/h4-5,12-18,20-22H,3,6-8H2,1-2H3/b5-4+
InChIKey NGPYRFLYLKLRDH-SNAWJCMRSA-N
SMILES O1C(OC2CC(=O)C(=C2C)C/C=C/CC)C(O)C(O)C(O)C1CO
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 Jasmolone glucoside (CHEBI:168237) is a glycoside (CHEBI:24400)
IUPAC Name
3-methyl-2-[(E)-pent-2-enyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-one
Manual Xrefs Databases
74886388 ChemSpider
HMDB0032870 HMDB
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