Dawenol (CHEBI:222737)

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CHEBI:222737 - Dawenol

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ChEBI ID	CHEBI:222737
ChEBI Name	Dawenol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H42O3
Net Charge	0
Average Mass	426.641
Monoisotopic Mass	426.31340
SMILES	C/C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C(C)/C=C(\C)C(O)C(C)C(C)OC(C)=O
InChI	InChI=1S/C28H42O3/c1-10-13-20(2)14-11-15-21(3)16-12-17-22(4)18-23(5)19-24(6)28(30)25(7)26(8)31-27(9)29/h10-19,23,25-26,28,30H,1-9H3/b13-10-,15-11+,17-12+,20-14+,21-16+,22-18+,24-19+
InChIKey	NJOUGKMJLWWKLH-XLWWUSDISA-N

Species of Metabolite	Component	Source	Comments
Stigmatella aurantiaca DW4/3-1 (ncbitaxon:378806)	-	DOI (10.1515/znb-2003-1015)

ChEBI Ontology

Outgoing Relation(s)
	Dawenol (CHEBI:222737) is a diterpenoid (CHEBI:23849)

IUPAC Name
[(5E,8E,10E,12E,14E,16E,18Z)-4-hydroxy-3,5,7,9,13,17-hexamethylicosa-5,8,10,12,14,16,18-heptaen-2-yl] acetate

Manual Xrefs	Databases
9352901	ChemSpider