CHEBI:191621 - Glucoconvallasaponin B

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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 Glucoconvallasaponin B
ChEBI ID CHEBI:191621
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H62O15
Net Charge 0
Average Mass 758.899
Monoisotopic Mass 758.40887
InChI InChI=1S/C38H62O15/c1-16-5-10-38(49-14-16)17(2)26-22(52-38)11-20-18-6-9-37(53-33-30(45)27(42)21(40)15-48-33)32(47)23(50-34-31(46)29(44)28(43)24(13-39)51-34)12-25(41)36(37,4)19(18)7-8-35(20,26)3/h16-34,39-47H,5-15H2,1-4H3
InChIKey WTBJYOOHMFWKMY-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(C5(C(OC6OCC(O)C(O)C6O)(CC4)C(O)C(OC7OC(C(O)C(O)C7O)CO)CC5O)C)CC3)C2)C)C(C18OCC(CC8)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Glucoconvallasaponin B (CHEBI:191621) is a steroid saponin (CHEBI:61655)
IUPAC Name
2-[14,17-dihydroxy-5',7,9,13-tetramethyl-18-(3,4,5-trihydroxyoxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0034327 HMDB
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