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CHEBI:5069 - Flaccidin B

Default Structure
ChEBI IDCHEBI:5069
ChEBI NameFlaccidin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H64O12
Net Charge0
Average Mass748.951
Monoisotopic Mass748.43978
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3OC[C@@H](O)C(=O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C41H64O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-27,29-34,42-43,45-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
InChIKeyOPTUUKHEYUERDZ-BNYPRUPSSA-N
ChEBI Ontology
Outgoing Relation(s)
Flaccidin B (CHEBI:5069) is a triterpenoid (CHEBI:36615)
Synonym  Source
Flaccidin BKEGG COMPOUND
Manual XrefsDatabases
C00003517KNApSAcK
C00024135KNApSAcK
C08943KEGG COMPOUND
Registry NumbersSources
CAS:117585-05-4KEGG COMPOUND