CHEBI:7932 - Parillin

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ChEBI Name Parillin ChEBI ID CHEBI:7932 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C51H84O22 Net Charge 0 Average Mass 1049.201 Monoisotopic Mass 1048.54542 InChI InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1 InChIKey DLUTTXMPJCVUFR-HJCIYZGTSA-N SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1 ChEBI Ontology Outgoing Parillin (CHEBI:7932) is a triterpenoid (CHEBI:36615) Synonym Source Parillin KEGG COMPOUND Manual Xrefs Databases C00003584 KNApSAcK C08906 KEGG COMPOUND View more database links Registry Number Type Source 19057-61-5 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014