Results for:
chemical Classification: spiroketals

(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane

Compound Details

Synonymous names	(5R,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane Cis-7-Methyl-1,6-dioxaspiro[4.5]decane 68108-89-4 Conophthorin SCHEMBL17364599 CHEBI:195753 XNNASGSBOJGKAZ-DTWKUNHWSA-N LMPK09000009 89576-31-8
Microorganism:	No
IUPAC name	(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane
SMILES	CC1CCCC2(O1)CCCO2
Inchi	InChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1
Formula	C9H16O2
PubChem ID	12571167
Molweight	156.22
LogP	1.7
Atoms	11
Bonds	0
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	spiroketals ethers heterocyclic compounds
CHEBI-ID	195753

mVOC Specific Details

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Flavus n/a NA Beck et al. 2012 Eukaryota Aspergillus Parasiticus n/a NA Beck et al. 2012 Eukaryota Aspergillus Niger n/a NA Beck et al. 2012 Eukaryota Penicillium Glabrum n/a NA Beck et al. 2012 Eukaryota Rhizopus Stolonifer n/a NA Beck et al. 2012 Eukaryota Aspergillus Flavus semichemical of the navel orangeworm moth ARS culture collection (NRRL) Beck et al. 2012 Eukaryota Aspergillus Niger semichemical of the navel orangeworm moth ARS culture collection (NRRL) Beck et al. 2012 Eukaryota Aspergillus Parasiticus semichemical of the navel orangeworm moth ARS culture collection (NRRL) Beck et al. 2012 Eukaryota Penicillium Glabrum semichemical of the navel orangeworm moth ARS culture collection (NRRL) Beck et al. 2012 Eukaryota Rhizopus Stolonifer semichemical of the navel orangeworm moth ARS culture collection (NRRL) Beck et al. 2012

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Flavus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Parasiticus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Niger potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Penicillium Glabrum potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Rhizopus Stolonifer potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Flavus PDA GC/MS yes Eukaryota Aspergillus Niger PDA GC/MS yes Eukaryota Aspergillus Parasiticus PDA GC/MS yes Eukaryota Penicillium Glabrum PDA GC/MS yes Eukaryota Rhizopus Stolonifer PDA GC/MS yes

1,10-dioxaspiro[4.5]decane

Compound Details

Synonymous names	1,6-dioxaspiro[4.5]decane 1,10-dioxaspiro[4.5]decane SCHEMBL3624815 CHEBI:180302 LMPK09000003
Microorganism:	Yes
IUPAC name	1,10-dioxaspiro[4.5]decane
SMILES	C1CCOC2(C1)CCCO2
Inchi	InChI=1S/C8H14O2/c1-2-6-9-8(4-1)5-3-7-10-8/h1-7H2
Formula	C8H14O2
PubChem ID	10888019
Molweight	142.2
LogP	1.2
Atoms	10
Bonds	0
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	heterocyclic compounds spiroketals ethers
CHEBI-ID	180302

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Salinispora Tropica na marine sediment Groenhagen et al. 2016
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Salinispora Tropica seawater-based A1 GC/MS no

1,7-dioxaspiro[5.5]undecane

Compound Details

Synonymous names	1,7-Dioxaspiro[5.5]undecane 180-84-7 1,7-Dioxaspiro(5.5)undecane Eco-Trap (S)-1,7-Dioxaspiro[5.5]undecane KHI3QEQ4ZJ (R)-1,7-Dioxaspiro[5.5]undecane DTXSID2040735 Olean 1,7-dioxaspiro[5,5]undecane 1,7-Dioxaspiro[5.5]undecane; Olean UNII-KHI3QEQ4ZJ EINECS 205-870-7 1,7-dioxaspiro[5.5]undecan SCHEMBL1720520 CHEMBL2135489 DTXCID0020735 CHEBI:195752 1,7-Dioxaspiro[5.5]undecane 100 microg/mL in Acetonitrile Tox21_300659 LMPK09000012 LMPK09000013 MFCD00011578 AKOS025294760 1,7-Dioxaspiro[5.5]undecane, 98% ?1,7-DIOXASPIRO[5.5]UNDECANE NCGC00164386-01 NCGC00164386-02 NCGC00254567-01 1,7-Dioxaspiro[5.5]undecane, >=97% AS-59233 CAS-180-84-7 DIOXASPIRO-5,5-UNDECANE, 1,7- CS-0333807 NS00025952 Q804105 J-011547 Q55620476 Q55620521 InChI=1/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H
Microorganism:	Yes
IUPAC name	1,7-dioxaspiro[5.5]undecane
SMILES	C1CCOC2(C1)CCCCO2
Inchi	InChI=1S/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2
Formula	C9H16O2
PubChem ID	67437
Molweight	156.22
LogP	1.6
Atoms	11
Bonds	0
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	ethers spiroketals
CHEBI-ID	195752
Supernatural-ID	SN0100922

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Salinispora Tropica na marine sediment Groenhagen et al. 2016
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Salinispora Tropica seawater-based A1 GC/MS no

1,6-dioxaspiro[4.4]nonane-2,7-dione

Compound Details

Synonymous names	1,6-Dioxaspiro[4.4]nonane-2,7-dione 3505-67-7 1,6-Dioxaspiro(4.4)nonane-2,7-dione 4,4-Dihydroxypimelic acid dilactone NSC66526 EINECS 222-499-6 SCHEMBL1048059 VTQYOGUFKHVWOO-UHFFFAOYSA- DTXSID40188558 NSC10430 NSC 10430 NSC 66526 NSC-10430 NSC-66526 NSC124079 AKOS015916252 NSC 124079 NSC-124079 DB-048715 NS00029765 1,6-Dioxaspiro[4.4]nonane-2,7-dione, 98% J-019844 InChI=1/C7H8O4/c8-5-1-3-7(10-5)4-2-6(9)11-7/h1-4H2
Microorganism:	No
IUPAC name	1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILES	C1CC2(CCC(=O)O2)OC1=O
Inchi	InChI=1S/C7H8O4/c8-5-1-3-7(10-5)4-2-6(9)11-7/h1-4H2
Formula	C7H8O4
PubChem ID	77041
Molweight	156.14
LogP	0.1
Atoms	11
Bonds	0
H-bond Acceptor	4
H-bond Donor	0
Chemical Classification	spiroketals esters

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Aspergillus Flavus Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Aspergillus Flavus inoculated potato samples GC-MS no