CHEBI:145145 - Dubioside F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dubioside F
ChEBI ID CHEBI:145145
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C69H110O36
Net Charge 0
Average Mass 1515.603
Monoisotopic Mass 1514.67768
InChI InChI=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
InChIKey NZYRFHKJNNSOAG-OJXHGCGWSA-N
SMILES O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@]([C@H](O)C4)(CCC(C5)(C)C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O)[C@H]7O)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%10O[C@@H]([C@@H](O)[C@H](O[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O)CO)[C@H]%10O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)CO
Metabolite of Species Details
Momordica charantia (NCBI:txid3673) Found in seed (BTO:0001226). See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Dubioside F (CHEBI:145145) is a pentacyclic triterpenoid (CHEBI:25872)
Dubioside F (CHEBI:145145) is a triterpenoid saponin (CHEBI:61778)
Last Modified
30 January 2020