CHEBI:69271 - Inflatin B

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ChEBI Name Inflatin B
ChEBI ID CHEBI:69271
Definition A natural product found in Tolypocladium inflatum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H40O6
Net Charge 0
Average Mass 484.62430
Monoisotopic Mass 484.28249
InChI InChI=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
InChIKey JQSXTZPTXNNYCX-IXVQIIOTSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4(C)CO[C@@H](O[C@]4([H])CC[C@]3(C)[C@]11CC[C@](O)(COC(C)=O)[C@]([H])(C2)C1)c1ccc(O)cc1
Metabolite of Species Details
Tolypocladium inflatum (NCBI:txid29910) Ethylacetate extract and fungus isolated from a soilsample on fruiting body of Cordyceps sinensis See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acetate ChEBI
Citation Waiting for Citations Type Source
21812410 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:sesquiterpenoid(CHEBI:26658); ISA:phenols(CHEBI:33853); ISA:dioxanes(CHEBI:46926); ISA:tertiary alcohol(CHEBI:26878); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);