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CHEBI:145145 - Dubioside F

ChEBI IDCHEBI:145145
ChEBI NameDubioside F
Stars
Last Modified30 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC69H110O36
Net Charge0
Average Mass1515.603
Monoisotopic Mass1514.67768
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4OC[C@H](O)[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](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[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/C69H110O36/c1-25-51(100-57-50(90)52(30(76)23-93-57)101-56-46(86)38(78)28(74)21-92-56)45(85)49(89)58(95-25)103-54-39(79)29(75)22-94-61(54)105-63(91)69-15-14-64(2,3)16-27(69)26-8-9-35-65(4)12-11-37(66(5,24-73)34(65)10-13-67(35,6)68(26,7)17-36(69)77)99-62-55(104-60-48(88)44(84)41(81)32(19-71)97-60)53(42(82)33(20-72)98-62)102-59-47(87)43(83)40(80)31(18-70)96-59/h8,24-25,27-62,70-72,74-90H,9-23H2,1-7H3/t25-,27-,28+,29-,30+,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-,62-,65-,66-,67+,68+,69+/m0/s1
InChIKeyNZYRFHKJNNSOAG-OJXHGCGWSA-N
Species of MetaboliteComponentSourceComments
Momordica charantia (ncbitaxon:3673) seed (BTO:0001226) MetaboLights (MTBLS701)
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)
Dubioside F (CHEBI:145145) is a pentacyclic triterpenoid (CHEBI:25872)
Dubioside F (CHEBI:145145) is a triterpenoid saponin (CHEBI:61778)