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CHEBI:67730 - 16-Deacetoxy-12-epi-scalarafuranacetate

ChEBI IDCHEBI:67730
ChEBI Name16-Deacetoxy-12-epi-scalarafuranacetate
Stars
DefinitionA natural product found in Spongia officinalis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H40O3
Net Charge0
Average Mass412.614
Monoisotopic Mass412.29775
SMILES[H][C@]12C[C@H](OC(C)=O)[C@]3(C)c4cocc4CC[C@@]3([H])[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C27H40O3/c1-17(28)30-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18-15-29-16-19(18)27(21,23)6/h15-16,20-23H,7-14H2,1-6H3/t20-,21-,22+,23-,25-,26-,27+/m0/s1
InChIKeyWAADVUIWRUHATI-NXQORITBSA-N
Species of MetaboliteComponentSourceComments
Spongia officinalis (ncbitaxon:252964) - PubMed (21548580) Diethyl ether soluble portion of acetone extract of chopped, frozen 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)
16-Deacetoxy-12-epi-scalarafuranacetate (CHEBI:67730) has role metabolite (CHEBI:25212)
16-Deacetoxy-12-epi-scalarafuranacetate (CHEBI:67730) is a scalarane sesterterpenoid (CHEBI:59370)
Citations