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CHEBI:145175 - Goyasaponin II

ChEBI IDCHEBI:145175
ChEBI NameGoyasaponin II
Stars
Last Modified30 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC70H110O35
Net Charge0
Average Mass1511.615
Monoisotopic Mass1510.68277
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@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)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/C70H110O35/c1-25-36(75)40(79)46(85)59(94-25)101-52-37(76)26(2)95-63(55(52)104-60-48(87)44(83)50(27(3)96-60)99-58-49(88)51(31(74)23-93-58)100-57-45(84)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-62-54(43(82)42(81)53(102-62)56(89)90)103-61-47(86)41(80)39(78)32(21-71)97-61/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90)/t25-,26+,27-,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+,57-,58-,59-,60-,61-,62+,63-,66-,67-,68+,69+,70-/m0/s1
InChIKeyIVYQSEVUVAENJB-GTOJXEJNSA-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 II (CHEBI:145175) is a pentacyclic triterpenoid (CHEBI:25872)
Goyasaponin II (CHEBI:145175) is a triterpenoid saponin (CHEBI:61778)