CHEBI:169655 - 6'-Apiosyllotaustralin

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ChEBI Name 6'-Apiosyllotaustralin
ChEBI ID CHEBI:169655
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H27NO10
Net Charge 0
Average Mass 393.389
Monoisotopic Mass 393.16350
InChI InChI=1S/C16H27NO10/c1-3-16(2,6-17)27-15-13(23)11(21)10(20)8(26-15)5-24-14-12(22)9(19)7(4-18)25-14/h7-15,18-23H,3-5H2,1-2H3
InChIKey NUKMOAMTVXXKKG-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC(CC)(C)C#N)COC2OC(C(O)C2O)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
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing 6'-Apiosyllotaustralin (CHEBI:169655) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name
2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylbutanenitrile
Manual Xref Database
HMDB0034207 HMDB
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