CHEBI:191427 - Chinenoside VI

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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 Chinenoside VI
ChEBI ID CHEBI:191427
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
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Formula C44H70O19
Net Charge 0
Average Mass 903.025
Monoisotopic Mass 902.45113
InChI InChI=1S/C44H70O19/c1-17-14-58-44(12-27(17)60-41-38(55)34(51)32(49)28(13-45)61-41)18(2)30-26(63-44)11-22-20-10-24(46)23-9-19(5-7-42(23,3)21(20)6-8-43(22,30)4)59-40-37(54)35(52)33(50)29(62-40)16-57-39-36(53)31(48)25(47)15-56-39/h17-23,25-41,45,47-55H,5-16H2,1-4H3
InChIKey IYLGRZBRMFMEOH-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(C5(C(C(=O)C4)CC(OC6OC(C(O)C(O)C6O)COC7OCC(O)C(O)C7O)CC5)C)CC3)C2)C)C(C18OCC(C(OC9OC(C(O)C(O)C9O)CO)C8)C)C
Metabolite of Species Details
Solanum tuberosum (NCBI:txid4113) Found in leaf (BTO:0000713). 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 saponin )
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ChEBI Ontology
Outgoing Chinenoside VI (CHEBI:191427) is a steroid saponin (CHEBI:61655)
IUPAC Name
5',7,9,13-tetramethyl-4'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one
Manual Xref Database
HMDB0032692 HMDB
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