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CHEBI:70341 - Hirsutalin B, (rel)-

ChEBI IDCHEBI:70341
ChEBI NameHirsutalin B, (rel)-
Stars
DefinitionA natural product found in Cladiella hirsuta.
Last Modified26 August 2015
DownloadsMolfile
FormulaC30H46O9
Net Charge0
Average Mass550.689
Monoisotopic Mass550.31418
SMILES[H][C@]12O[C@]([H])(CC(=C)[C@@H](O)C[C@H](OC(=O)C(CC)OC(=O)CCC)[C@@]1(C)O)[C@@]1([H])C(=C)CC[C@]([H])([C@@H](C)COC(C)=O)[C@@]21[H]
InChIInChI=1S/C30H46O9/c1-8-10-25(33)37-22(9-2)29(34)39-24-14-21(32)17(4)13-23-26-16(3)11-12-20(18(5)15-36-19(6)31)27(26)28(38-23)30(24,7)35/h18,20-24,26-28,32,35H,3-4,8-15H2,1-2,5-7H3/t18-,20+,21-,22?,23+,24-,26+,27+,28+,30+/m0/s1
InChIKeyFIWJCKNZIXFBGP-DKGYTLFJSA-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 B, (rel)- (CHEBI:70341) has role metabolite (CHEBI:25212)
Hirsutalin B, (rel)- (CHEBI:70341) is a butyrate ester (CHEBI:50477)
Hirsutalin B, (rel)- (CHEBI:70341) is a sesquiterpenoid (CHEBI:26658)
Citations