artemoin D (CHEBI:134011)

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CHEBI:134011 - artemoin D

ChEBI ID	CHEBI:134011
ChEBI Name	artemoin D
Stars
Definition	An artemoin in which the two hydroxy groups on the C-30 side-chain are located at positions 13 and 14
Last Modified	16 May 2017
Submitter	Keeva
Downloads	Molfile

Formula	C35H66O4
Net Charge	0
Average Mass	550.909
Monoisotopic Mass	550.49611
SMILES	CCCCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O
InChI	InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3
InChIKey	CAGLXILDKKCMCR-UHFFFAOYSA-N

Species of Metabolite	Component	Source
Annona atemoya (IPNI:1006408-1)	seed (BTO:0001226)	DOI (10.1016/S0031-9422(99)00142-9)
Mus musculus (ncbitaxon:10090)	-	MetaboLights (MTBLS313)
Rattus norvegicus (ncbitaxon:10116)	-	MetaboLights (MTBLS313)

Roles Classification

Biological Roles:

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	artemoin D (CHEBI:134011) has role mouse metabolite (CHEBI:75771)
	artemoin D (CHEBI:134011) has role plant metabolite (CHEBI:76924)
	artemoin D (CHEBI:134011) has role rat metabolite (CHEBI:86264)
	artemoin D (CHEBI:134011) is a artemoin (CHEBI:134234)

IUPAC Name
3-(13,14-dihydroxytriacontyl)-5-methylfuran-2(5H)-one

Synonyms	Source
3-(13,14-Dihydroxytriacontyl)-5-methyl-2(5H)-furanone	HMDB
artemoin-D	ChEBI

Manual Xrefs	Databases
HMDB0033607	HMDB

Registry Numbers	Sources
Reaxys:8301353	Reaxys