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CHEBI:234162 - saponarioside B(1−)

ChEBI IDCHEBI:234162
ChEBI Namesaponarioside B(1−)
Stars
ASCII Namesaponarioside B(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC77H119O41
Net Charge-1
Average Mass1700.758
Monoisotopic Mass1699.72323
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](C)[C@H](O[C@@H]5O[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H](O)[C@H]4O)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C=O
InChIInChI=1S/C77H120O41/c1-26-54(108-29(4)80)44(89)49(94)66(105-26)112-56-28(3)107-69(60(51(56)96)116-67-50(95)45(90)55(27(2)106-67)111-65-53(98)57(34(83)24-104-65)113-63-46(91)40(85)32(81)22-102-63)118-71(101)77-18-17-72(5,6)19-31(77)30-11-12-37-73(7)15-14-39(74(8,25-79)36(73)13-16-75(37,9)76(30,10)20-38(77)84)110-70-61(117-68-48(93)43(88)42(87)35(21-78)109-68)58(52(97)59(115-70)62(99)100)114-64-47(92)41(86)33(82)23-103-64/h11,25-28,31-61,63-70,78,81-98H,12-24H2,1-10H3,(H,99,100)/p-1/t26-,27+,28-,31+,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,51+,52+,53-,54-,55+,56+,57+,58+,59+,60-,61-,63+,64+,65+,66+,67+,68+,69+,70-,73+,74+,75-,76-,77-/m1/s1
InChIKeyDLMZYWJEFCXXFP-JFNHGSKRSA-M
ChEBI Ontology
Outgoing Relation(s)
saponarioside B(1−) (CHEBI:234162) is a monocarboxylic acid anion (CHEBI:35757)
Synonyms  Source
3-O-{β-D-Xyl-(1→3)-[β-D-Gal-(1→2)]-β-D-GlcA}-quillaic acid {β-D-Xyl-(1→3)-β-D-Xyl-(1→4)-α-L-Rha-(1→2)-[β-D-Qui4OAc-(1→4)]-β-D-Fuc} esterSUBMITTER
3-O-{β-D-Xylp-(1→3)-[β-D-Galp-(1→2)]-β-D-GlcpA}-quillaic acid {β-D-Xylp-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-[β-D-Quip4OAc-(1→4)]-β-D-Fucp} esterSUBMITTER
3-O-{β-D-xylopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranuronosyl}-quillaic acid {β-D-xylopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)-α-L-rhamnopyranosyl-(1→2)-[4-O-acetyl-β-D-quinovopyranosyl-(1→4)]-β-D-fucopyranosyl} esterSUBMITTER
UniProt Name  Source
saponarioside BUniProt
Citations