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CHEBI:81073 - Onjisaponin F

ChEBI IDCHEBI:81073
ChEBI NameOnjisaponin F
Stars
DownloadsMolfile
FormulaC75H112O36
Net Charge0
Average Mass1589.685
Monoisotopic Mass1588.69333
SMILES[H][C@]12CC=C3[C@@](CO)(CC[C@@]4(C(=O)O[C@@H]5O[C@H](C)[C@H](OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)CCC(C)(C)C[C@@]34[H])[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C(=O)O
InChIInChI=1S/C75H112O36/c1-31-53(105-44(82)14-11-33-21-39(96-8)56(98-10)40(22-33)97-9)50(88)58(109-64-52(90)57(108-66-59(91)75(95,29-78)30-101-66)54(32(2)102-64)106-62-51(89)55(38(81)27-100-62)107-61-48(86)45(83)37(80)26-99-61)65(103-31)111-68(94)73-18-17-69(3,4)23-35(73)34-12-13-42-70(5)24-36(79)60(110-63-49(87)47(85)46(84)41(25-76)104-63)72(7,67(92)93)43(70)15-16-71(42,6)74(34,28-77)20-19-73/h11-12,14,21-22,31-32,35-38,41-43,45-55,57-66,76-81,83-91,95H,13,15-20,23-30H2,1-10H3,(H,92,93)/b14-11+/t31-,32+,35+,36+,37+,38-,41-,42-,43-,45+,46-,47+,48-,49-,50+,51-,52-,53+,54+,55+,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72+,73+,74+,75-/m1/s1
InChIKeyHDLNHPZHTNFCNP-JJEFWQELSA-N
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)
Onjisaponin F (CHEBI:81073) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Polygalasaponin XXXIKEGG COMPOUND
Manual XrefsDatabases
C17417KEGG COMPOUND