CHEBI:70341 - Hirsutalin B, (rel)-

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ChEBI Name Hirsutalin B, (rel)-
ChEBI ID CHEBI:70341
Definition A natural product found in Cladiella hirsuta.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H46O9
Net Charge 0
Average Mass 550.68080
Monoisotopic Mass 550.31418
InChI InChI=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
InChIKey FIWJCKNZIXFBGP-DKGYTLFJSA-N
SMILES [H][C@]12CC(=C)[C@@H](O)C[C@H](OC(=O)C(CC)OC(=O)CCC)[C@@](C)(O)[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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
20979397 PubMed citation Europe PMC
Last Modified
26 August 2015
General Comment
2014-10-17 Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:dicarboxylic acid(CHEBI:35692); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);