CHEBI:8414 - Primulasaponin

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ChEBI Name Primulasaponin
ChEBI ID CHEBI:8414
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C54H90O22
Net Charge 0
Average Mass 1105.265
Monoisotopic Mass 1104.57164
InChI InChI=1S/C54H88O23/c1-22-30(58)33(61)36(64)44(70-22)76-41-35(63)32(60)24(20-56)72-46(41)74-39-38(66)40(43(67)68)75-47(42(39)77-45-37(65)34(62)31(59)23(19-55)71-45)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,50-,51+,52-,53+,54-/m0/s1
InChIKey DQUUSJCGJNQFPG-CBMAJASRSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@]46OC[C@@]7(CCC(C)(C)C[C@@H]47)[C@H](O)C[C@@]56C)C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
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 Primulasaponin (CHEBI:8414) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Primulasaponin KEGG COMPOUND
Manual Xrefs Databases
C00003544 KNApSAcK
C08970 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
31660-87-4 CAS Registry Number KEGG COMPOUND
65312-86-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014