CHEBI:70346 - Hirsutalin G, (rel)-

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ChEBI Name Hirsutalin G, (rel)-
ChEBI ID CHEBI:70346
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 C22H34O5
Net Charge 0
Average Mass 378.50240
Monoisotopic Mass 378.24062
InChI InChI=1S/C22H34O5/c1-12-6-9-18(26-15(4)24)22(5,25)21-20-16(14(3)11-23)8-7-13(2)19(20)17(10-12)27-21/h6-7,14,16-21,23,25H,8-11H2,1-5H3/b12-6+/t14-,16+,17+,18-,19+,20+,21+,22+/m0/s1
InChIKey RNVBRXFRQSSZBZ-QAEVAGBDSA-N
SMILES [H][C@]12C\C(C)=C\C[C@H](OC(C)=O)[C@@](C)(O)[C@]([H])(O1)[C@]1([H])[C@]([H])(CC=C(C)[C@]21[H])[C@@H](C)CO
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 G, (rel)- (CHEBI:70346) has role metabolite (CHEBI:25212)
Hirsutalin G, (rel)- (CHEBI:70346) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
(1R,2R,6R,7R,8R,9R,10S)-9-Hydroxy-6-[(2R)-1-hydroxy-2-propanyl]-3,9,13-trimethyl-15-oxatricyclo[6.6.1.0(2,7)]pentadeca-3,12-dien-10-yl acetate ChEBI
Manual Xref Database
27026738 ChemSpider
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Citation Waiting for Citations Type Source
20979397 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:monosaccharide(CHEBI:35381); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);