CHEBI:145168 - Luperoside I

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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 Luperoside I
ChEBI ID CHEBI:145168
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)41(80)46(85)59(94-25)101-51-37(76)26(2)95-62(54(51)103-60-48(87)43(82)50(27(3)96-60)99-57-44(83)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)98-63-55(104-61-47(86)42(81)40(79)32(21-71)97-61)52(49(88)53(102-63)56(89)90)100-58-45(84)39(78)31(74)23-93-58/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-/m1/s1
InChIKey GNLYEGHDTBBEHJ-IJUVRUCMSA-N
SMILES C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@@H](C)O[C@H]([C@@H]2O[C@@H]3[C@@H](C([C@@H]([C@@H](C)O3)O[C@H]4[C@@H]([C@@H]([C@@H](CO4)O)O)O)O)O)OC([C@]56CCC(C)(C)C[C@@]6(C7=CC[C@@]8([H])[C@@]9(C)CC[C@@H]([C@@](C)(C=O)[C@@]9(CC[C@@]8(C)[C@]7(C)CC5)[H])O[C@H]%10[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O%10)O)O[C@@H]%11[C@H]([C@H]([C@@H](CO%11)O)O)O)O[C@H]%12[C@H]([C@@H]([C@H]([C@H](CO)O%12)O)O)O)[H])=O)O)O)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 Luperoside I (CHEBI:145168) is a pentacyclic triterpenoid (CHEBI:25872)
Luperoside I (CHEBI:145168) is a triterpenoid saponin (CHEBI:61778)
Manual Xref Database
C00039664 KNApSAcK accession
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Last Modified
30 January 2020