CHEBI:191538 - Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside

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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 Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside
ChEBI ID CHEBI:191538
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H76O18
Net Charge 0
Average Mass 905.085
Monoisotopic Mass 904.50317
InChI InChI=1S/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3
InChIKey RPMXUCNWRIVIFQ-UHFFFAOYSA-N
SMILES O(C1C(C2(C(C3C(C4(C(=CC3)CC(O)CC4OC5OC(C(OC6OC(C(O)C(O)C6O)CO)C(O)C5O)C)C)CC2)C1)C)C(C(O)CCC(C)C)C)C7OC(C(O)C(O)C7O)CO
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 Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside (CHEBI:191538) is a steroid saponin (CHEBI:61655)
IUPAC Name
2-[[1-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0038346 HMDB
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