EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69271 - Inflatin B

ChEBI IDCHEBI:69271
ChEBI NameInflatin B
Stars
DefinitionA natural product found in Tolypocladium inflatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H40O6
Net Charge0
Average Mass484.633
Monoisotopic Mass484.28249
SMILES[H][C@]12C[C@]3([H])CC[C@]4([H])[C@](C)(CC[C@@]5([H])O[C@@H](c6ccc(O)cc6)OC[C@@]45C)[C@@]3(CC[C@]1(O)COC(C)=O)C2
InChIInChI=1S/C29H40O6/c1-18(30)33-17-29(32)13-12-28-15-21(29)14-20(28)6-9-23-26(2)16-34-25(19-4-7-22(31)8-5-19)35-24(26)10-11-27(23,28)3/h4-5,7-8,20-21,23-25,31-32H,6,9-17H2,1-3H3/t20-,21+,23-,24+,25-,26-,27-,28-,29-/m0/s1
InChIKeyJQSXTZPTXNNYCX-IXVQIIOTSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium inflatum (ncbitaxon:29910) - PubMed (21812410) Ethylacetate extract and fungus isolated from a soilsample on fruiting body of Cordyceps sinensis
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)
Inflatin B (CHEBI:69271) has role metabolite (CHEBI:25212)
Inflatin B (CHEBI:69271) is a oxa-steroid (CHEBI:50917)
Synonym  Source
[(1S,2S,5R,7S,10R,11R,14S,16R,17R)-17-Hydroxy-7-(4-hydroxyphenyl)-2,10-dimethyl-6,8-dioxapentacyclo[14.3.1.0[1,14].0[2,11].0[5,10]]icos-17-yl]methyl acetateChEBI
Citations