CHEBI:66662 - 6α-malonyloxymanoyl oxide

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ChEBI Name 6α-malonyloxymanoyl oxide
ChEBI ASCII Name 6alpha-malonyloxymanoyl oxide
Definition The malonate ester of a labdane diterpenoid. Isolated from the aerial parts of Stemodia foliosa, it exhibits antibacterial activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H36O5
Net Charge 0
Average Mass 392.52890
Monoisotopic Mass 392.25627
InChI InChI=1S/C23H36O5/c1-7-21(4)12-9-16-22(5)11-8-10-20(2,3)19(22)15(14-23(16,6)28-21)27-18(26)13-17(24)25/h7,15-16,19H,1,8-14H2,2-6H3,(H,24,25)/t15-,16+,19-,21-,22+,23+/m0/s1
SMILES [H][C@]12CC[C@@](C)(O[C@]1(C)C[C@H](OC(=O)CC(O)=O)[C@@]1([H])C(C)(C)CCC[C@]21C)C=C
Metabolite of Species Details
Stemodia foliosa (IPNI:244396-2) Found in aerial part (BTO:0001658). See: PubMed
Roles Classification
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
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 6α-malonyloxymanoyl oxide (CHEBI:66662) has role antibacterial agent (CHEBI:33282)
6α-malonyloxymanoyl oxide (CHEBI:66662) has role metabolite (CHEBI:25212)
6α-malonyloxymanoyl oxide (CHEBI:66662) is a cyclic ether (CHEBI:37407)
6α-malonyloxymanoyl oxide (CHEBI:66662) is a labdane diterpenoid (CHEBI:36770)
6α-malonyloxymanoyl oxide (CHEBI:66662) is a malonate ester (CHEBI:38083)
3-{[(3R,4aR,6S,6aS,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-3-oxopropanoic acid
Registry Number Type Source
19154464 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18582112 PubMed citation Europe PMC
Last Modified
03 April 2013