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CHEBI:234175 - QS-7(1−)

ChEBI IDCHEBI:234175
ChEBI NameQS-7(1−)
Stars
ASCII NameQS-7(1-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC83H129O46
Net Charge-1
Average Mass1862.899
Monoisotopic Mass1861.77605
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](OC(C)=O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[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@](O)(CO)[C@H]6O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[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/C83H130O46/c1-28-42(92)46(96)50(100)69(114-28)126-62-57(117-31(4)88)30(3)116-73(64(62)128-72-55(105)60(124-70-51(101)47(97)44(94)36(21-84)118-70)56(29(2)115-72)121-68-54(104)58(35(90)24-112-68)122-75-65(106)82(110,26-87)27-113-75)129-76(109)83-18-17-77(5,6)19-33(83)32-11-12-39-78(7)15-14-41(79(8,25-86)38(78)13-16-80(39,9)81(32,10)20-40(83)91)120-74-63(127-71-52(102)48(98)45(95)37(22-85)119-71)59(53(103)61(125-74)66(107)108)123-67-49(99)43(93)34(89)23-111-67/h11,25,28-30,33-65,67-75,84-85,87,89-106,110H,12-24,26-27H2,1-10H3,(H,107,108)/p-1/t28-,29-,30+,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-,62-,63+,64+,65-,67-,68-,69-,70-,71-,72-,73-,74+,75-,78-,79-,80+,81+,82+,83+/m0/s1
InChIKeyDBEIJLFTXFMFLV-JSZBQKSCSA-M
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)
QS-7(1−) (CHEBI:234175) has functional parent quillaic acid (CHEBI:8710)
QS-7(1−) (CHEBI:234175) is a carboxylic ester (CHEBI:33308)
QS-7(1−) (CHEBI:234175) is a decasaccharide derivative (CHEBI:68692)
QS-7(1−) (CHEBI:234175) is a monocarboxylic acid anion (CHEBI:35757)
QS-7(1−) (CHEBI:234175) is a pentacyclic triterpenoid (CHEBI:25872)
QS-7(1−) (CHEBI:234175) is a triterpenoid saponin (CHEBI:61778)
Citations