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

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ChEBI Name 16-Deacetoxy-12-epi-scalarafuranacetate
ChEBI ID CHEBI:67730
Definition A natural product found in Spongia officinalis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H40O3
Net Charge 0
Average Mass 412.60470
Monoisotopic Mass 412.29775
InChI InChI=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
InChIKey WAADVUIWRUHATI-NXQORITBSA-N
SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CCc5cocc5[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O
Metabolite of Species Details
Spongia officinalis (NCBI:txid252964) Diethyl ether soluble portion of acetone extract of chopped, frozen sponge 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 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)
Citation Waiting for Citations Type Source
21548580 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:furans(CHEBI:24129); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);