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CHEBI:145169 - Goyasaponin I

Default Structure
ChEBI IDCHEBI:145169
ChEBI NameGoyasaponin I
Stars
Last Modified6 November 2019
Submittermwilliams
DownloadsMolfile
FormulaC65H102O31
Net Charge0
Average Mass1379.500
Monoisotopic Mass1378.64051
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](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(OC5OC[C@@H](O)C(O)[C@H]5O)[C@@H](O)[C@H]4O)CC[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]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C=O
InChIInChI=1S/C65H102O31/c1-24-34(69)38(73)44(79)54(86-24)92-48-35(70)25(2)87-58(51(48)95-55-46(81)42(77)47(26(3)88-55)91-53-43(78)36(71)29(68)22-85-53)96-59(84)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-33(62(7,23-67)31(61)12-15-64(32,9)63(27,8)17-19-65)90-57-50(41(76)40(75)49(93-57)52(82)83)94-56-45(80)39(74)37(72)30(21-66)89-56/h10,23-26,28-51,53-58,66,68-81H,11-22H2,1-9H3,(H,82,83)/t24-,25+,26-,28-,29+,30+,31+,32+,33-,34-,35-,36?,37-,38+,39-,40-,41-,42-,43+,44+,45+,46+,47?,48-,49-,50+,51+,53?,54-,55-,56-,57+,58-,61-,62-,63+,64+,65-/m0/s1
InChIKeyULHRDLGYAHWAGO-XWRJWZRRSA-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)
Goyasaponin I (CHEBI:145169) is a pentacyclic triterpenoid (CHEBI:25872)
Goyasaponin I (CHEBI:145169) is a triterpenoid saponin (CHEBI:61778)