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CHEBI:3338 - Camellidin I

ChEBI IDCHEBI:3338
ChEBI NameCamellidin I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC55H86O25
Net Charge0
Average Mass1147.268
Monoisotopic Mass1146.54582
SMILES[H][C@]12CC=C3[C@@](C)(CC(=O)[C@@]4([H])CCC(C)(C)C[C@@]34OC(C)=O)[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]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](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C55H86O25/c1-22(59)80-55-21-50(2,3)14-11-23(55)24(60)17-54(8)30(55)10-9-29-52(6)15-13-31(51(4,5)28(52)12-16-53(29,54)7)75-49-43(78-47-39(68)36(65)33(62)26(19-57)73-47)40(69)41(44(79-49)45(70)71)76-48-42(37(66)34(63)27(20-58)74-48)77-46-38(67)35(64)32(61)25(18-56)72-46/h10,23,25-29,31-44,46-49,56-58,61-69H,9,11-21H2,1-8H3,(H,70,71)/t23-,25-,26-,27-,28+,29-,31+,32-,33+,34+,35+,36+,37+,38-,39-,40+,41+,42-,43-,44+,46+,47+,48+,49-,52+,53-,54-,55+/m1/s1
InChIKeyTVDLDADJOJWXBX-USVUDFSPSA-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 I (CHEBI:3338) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Camellidin IKEGG COMPOUND
Manual XrefsDatabases
C08933KEGG COMPOUND
C00003507KNApSAcK
Registry NumbersSources
CAS:96827-22-4KEGG COMPOUND