EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3339 - Camellidin II

ChEBI IDCHEBI:3339
ChEBI NameCamellidin II
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC53H84O24
Net Charge0
Average Mass1105.231
Monoisotopic Mass1104.53525
SMILES[H][C@]12CC=C3[C@]4(O)CC(C)(C)CC[C@]4([H])C(=O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C53H84O24/c1-48(2)13-10-21-22(57)16-52(7)28(53(21,69)20-48)9-8-27-50(5)14-12-29(49(3,4)26(50)11-15-51(27,52)6)73-47-42(77-45-37(65)34(62)31(59)24(18-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(19-56)72-46)76-44-36(64)33(61)30(58)23(17-54)70-44/h9,21,23-27,29-42,44-47,54-56,58-66,69H,8,10-20H2,1-7H3,(H,67,68)/t21-,23-,24-,25-,26+,27-,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39+,40+,41-,42-,44+,45+,46+,47-,50+,51-,52-,53+/m1/s1
InChIKeyIILVEMAGCSQHDC-SDYIUMBZSA-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)
Camellidin II (CHEBI:3339) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Camellidin IIKEGG COMPOUND
Manual XrefsDatabases
C08934KEGG COMPOUND
C00003508KNApSAcK
Registry NumbersSources
CAS:96827-23-5KEGG COMPOUND