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CHEBI:70342 - Hirsutalin C, (rel)-

Default Structure
ChEBI IDCHEBI:70342
ChEBI NameHirsutalin C, (rel)-
Stars
DefinitionA natural product found in Cladiella hirsuta.
Last Modified26 August 2015
DownloadsMolfile
FormulaC28H44O7
Net Charge0
Average Mass492.653
Monoisotopic Mass492.30870
SMILES[H][C@]12O[C@]([H])(CC(=C)[C@@H](O)CC[C@@]1(C)OC(=O)C(CC)OC(=O)CCC)[C@@]1([H])C(=C)CC[C@]([H])([C@@H](C)CO)[C@@]21[H]
InChIInChI=1S/C28H44O7/c1-7-9-23(31)33-21(8-2)27(32)35-28(6)13-12-20(30)17(4)14-22-24-16(3)10-11-19(18(5)15-29)25(24)26(28)34-22/h18-22,24-26,29-30H,3-4,7-15H2,1-2,5-6H3/t18-,19+,20-,21?,22+,24+,25+,26+,28+/m0/s1
InChIKeyWGQGOTJWEADVEY-QXVCFRDDSA-N
Species of MetaboliteComponentSourceComments
Cladiella hirsuta (WORMS:288617) - PubMed (20979397) Sliced frozen bodies extracted with acetone
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)
Hirsutalin C, (rel)- (CHEBI:70342) has role metabolite (CHEBI:25212)
Hirsutalin C, (rel)- (CHEBI:70342) is a butyrate ester (CHEBI:50477)
Hirsutalin C, (rel)- (CHEBI:70342) is a sesquiterpenoid (CHEBI:26658)
Citations