Botryosphaerihydrofuran (CHEBI:215782)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Botryosphaerihydrofuran

ChEBI ID	CHEBI:215782

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O2

Net Charge

Average Mass

218.296

Monoisotopic Mass

218.13068

InChI

InChI=1S/C14H18O2/c1-9-4-5-11-6-14-13(16-14,8-12(9,11)3)10(2)7-15-14/h4-6,9-10H,7-8H2,1-3H3/t9-,10-,12-,13-,14-/m1/s1

InChIKey

KQKUUJCVSOPQBP-OMRXRXQOSA-N

SMILES

O1[C@]23O[C@]2(C[C@]4(C(=C3)C=C[C@H]4C)C)[C@@H](C1)C

Metabolite of Species	Details
Botryosphaeria (NCBI:txid45132)	See: DOI

ChEBI Ontology
Outgoing	Botryosphaerihydrofuran (CHEBI:215782) is a dioxanes (CHEBI:46926)

IUPAC Name

(1R,3R,4R,9R,12R)-3,4,12-trimethyl-10,13-dioxatetracyclo[7.3.1.01,9.03,7]trideca-5,7-diene