1,10-seco-2,3-seco-aromadendrane (CHEBI:205358)

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CHEBI:205358 - 1,10-seco-2,3-seco-aromadendrane

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ChEBI ID	CHEBI:205358
ChEBI Name	1,10-seco-2,3-seco-aromadendrane
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26O4
Net Charge	0
Average Mass	270.369
Monoisotopic Mass	270.18311
SMILES	CC(=O)CC[C@H]1[C@@H]([C@@H]2CC(O)OC[C@@H]2C)[C@]1(C)CO
InChI	InChI=1S/C15H26O4/c1-9-7-19-13(18)6-11(9)14-12(5-4-10(2)17)15(14,3)8-16/h9,11-14,16,18H,4-8H2,1-3H3/t9-,11+,12-,13?,14+,15+/m0/s1
InChIKey	XWGMWDXATZANIP-MVDNQNLJSA-N

Species of Metabolite	Component	Source	Comments
Dichomitus squalens (ncbitaxon:114155)	-	PubMed (15620268)

ChEBI Ontology

Outgoing Relation(s)
	1,10-seco-2,3-seco-aromadendrane (CHEBI:205358) is a oxanes (CHEBI:46942)

IUPAC Name
4-[(1S,2R,3R)-2-(hydroxymethyl)-3-[(4S,5R)-2-hydroxy-5-methyloxan-4-yl]-2-methylcyclopropyl]butan-2-one

Manual Xrefs	Databases
78437273	ChemSpider