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CHEBI:172764 - Tuberoside

ChEBI IDCHEBI:172764
ChEBI NameTuberoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O8
Net Charge0
Average Mass592.814
Monoisotopic Mass592.39752
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=C[C@@H](O)[C@@]2(O)C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]12C
InChIInChI=1S/C34H56O8/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-15-27(36)34(40)16-21(11-14-33(34,6)25(22)12-13-32(23,24)5)41-31-30(39)29(38)28(37)26(17-35)42-31/h7-8,15,18-21,23-31,35-40H,9-14,16-17H2,1-6H3/b8-7+/t19-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-/m0/s1
InChIKeyOHZYISZWOVEBCJ-ATLCLBDSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Tuber indicum (ncbitaxon:55307) - DOI (10.1016/s0039-128x(01)00105-2)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Tuberoside (CHEBI:172764) is a steroid saponin (CHEBI:61655)
IUPAC Names 
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[[(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
28501799ChemSpider
78445463ChemSpider