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CHEBI:67740 - (6E)-neomanoalide

ChEBI IDCHEBI:67740
ChEBI Name(6E)-neomanoalide
Stars
DefinitionA natural product found in Hippospongia lachne.
Last Modified22 September 2014
DownloadsMolfile
FormulaC25H38O4
Net Charge0
Average Mass402.575
Monoisotopic Mass402.27701
SMILESCC1=C(CC/C(C)=C/CC/C(=C\C[C@H]2OC(=O)C=C2CO)CO)C(C)(C)CCC1
InChIInChI=1S/C25H38O4/c1-18(10-12-22-19(2)8-6-14-25(22,3)4)7-5-9-20(16-26)11-13-23-21(17-27)15-24(28)29-23/h7,11,15,23,26-27H,5-6,8-10,12-14,16-17H2,1-4H3/b18-7+,20-11+/t23-/m1/s1
InChIKeyVOZHIXNCTBMKNV-KXUMGZKHSA-N
Species of MetaboliteComponentSourceComments
Hippospongia lachne (ncbitaxon:479639) - PubMed (21548579) 95% aqueous ethanolic extract of dried sponge
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)
(6E)-neomanoalide (CHEBI:67740) has role metabolite (CHEBI:25212)
(6E)-neomanoalide (CHEBI:67740) is a diterpene lactone (CHEBI:49193)
Synonym  Source
(2R)-3-(hydroxymethyl)-2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-2H-furan-5-oneChEBI
Citations