CHEBI:145175 - Goyasaponin II

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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 Goyasaponin II
ChEBI ID CHEBI:145175
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C70H110O35
Net Charge 0
Average Mass 1511.615
Monoisotopic Mass 1510.68277
InChI InChI=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
InChIKey IVYQSEVUVAENJB-GTOJXEJNSA-N
SMILES O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H]6O[C@@H]8O[C@H]([C@H](O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H]9O)[C@@H](O)[C@H]8O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)C(O)=O
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 Goyasaponin II (CHEBI:145175) is a pentacyclic triterpenoid (CHEBI:25872)
Goyasaponin II (CHEBI:145175) is a triterpenoid saponin (CHEBI:61778)
Last Modified
30 January 2020