CHEBI:192050 - Asparagoside C

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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 Asparagoside C
ChEBI ID CHEBI:192050
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C39H64O13
Net Charge 0
Average Mass 740.928
Monoisotopic Mass 740.43469
InChI InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-33(46)34(30(43)27(16-41)50-36)51-35-32(45)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3
InChIKey ZJCKMLSMXPLTKX-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)CO)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asparagoside C (CHEBI:192050) is a steroid saponin (CHEBI:61655)
IUPAC Name
2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xrefs Databases
21244428 ChemSpider
HMDB0031835 HMDB
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