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CHEBI:215548 - Tenuifolioside B

ChEBI IDCHEBI:215548
ChEBI NameTenuifolioside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O10
Net Charge0
Average Mass612.801
Monoisotopic Mass612.38735
SMILESCC(C)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC(=O)[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C33H56O10/c1-17(2)6-7-25(36)32(5,40)24-10-13-33(41)20-15-22(35)21-14-18(8-11-30(21,3)19(20)9-12-31(24,33)4)42-29-28(39)27(38)26(37)23(16-34)43-29/h17-21,23-29,34,36-41H,6-16H2,1-5H3/t18-,19-,20+,21+,23+,24-,25+,26+,27+,28+,29+,30+,31+,32?,33+/m0/s1
InChIKeyKTYXGLHTBUYJCL-OSAVQHGPSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/0031-9422(89)80363-2)
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)
Tenuifolioside B (CHEBI:215548) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3S,5S,8R,9S,10R,13R,14R,17S)-17-[(3R)-2,3-dihydroxy-6-methylheptan-2-yl]-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
78438084ChemSpider