CHEBI:70347 - Hirsutalin H, (rel)-

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ChEBI Name Hirsutalin H, (rel)-
ChEBI ID CHEBI:70347
Definition A natural product found in Cladiella hirsuta.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H42O7
Net Charge 0
Average Mass 466.60750
Monoisotopic Mass 466.29305
InChI InChI=1S/C26H42O7/c1-7-8-21(29)33-26(6)12-11-20(28)25(5,30)13-19-22-15(2)9-10-18(23(22)24(26)32-19)16(3)14-31-17(4)27/h16,18-20,22-24,28,30H,2,7-14H2,1,3-6H3/t16-,18+,19+,20-,22+,23+,24+,25-,26+/m0/s1
InChIKey IJROBFJVCCDEKL-IQDBQWTNSA-N
SMILES [H][C@]12C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]([H])(CCC(=C)[C@]21[H])[C@@H](C)COC(C)=O
Metabolite of Species Details
Cladiella hirsuta (WORMS:288617) Sliced frozen bodies extracted with acetone 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.
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ChEBI Ontology
Outgoing Hirsutalin H, (rel)- (CHEBI:70347) has role metabolite (CHEBI:25212)
Hirsutalin H, (rel)- (CHEBI:70347) is a butyrate ester (CHEBI:50477)
Hirsutalin H, (rel)- (CHEBI:70347) is a sesquiterpenoid (CHEBI:26658)
Citation Waiting for Citations Type Source
20979397 PubMed citation Europe PMC
Last Modified
26 August 2015
General Comment
2014-10-17 Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);