CHEBI:168084 - Torachrysone 8-(2-apiosylglucoside)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Torachrysone 8-(2-apiosylglucoside)
ChEBI ID CHEBI:168084
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32O13
Net Charge 0
Average Mass 540.518
Monoisotopic Mass 540.18429
InChI InChI=1S/C25H32O13/c1-10-4-12-5-13(34-3)6-14(17(12)19(30)16(10)11(2)28)36-23-21(20(31)18(29)15(7-26)37-23)38-24-22(32)25(33,8-27)9-35-24/h4-6,15,18,20-24,26-27,29-33H,7-9H2,1-3H3
InChIKey BABLZVVVBXCYEN-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=C3C(=CC(OC)=C2)C=C(C(=C3O)C(=O)C)C)CO)C4OCC(O)(C4O)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 Torachrysone 8-(2-apiosylglucoside) (CHEBI:168084) is a glycoside (CHEBI:24400)
IUPAC Name
1-[8-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl]ethanone
Manual Xref Database
HMDB0034612 HMDB
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