Results for:
chemical Classification: spiroketals

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 name1,7-dioxaspiro[5.5]undecane
SMILESC1CCOC2(C1)CCCCO2
InchiInChI=1S/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2
FormulaC9H16O2
PubChem ID67437
Molweight156.22
LogP1.6
Atoms11
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationethers spiroketals
CHEBI-ID195752
Supernatural-IDSN0100922

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno


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 name1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESC1CC2(CCC(=O)O2)OC1=O
InchiInChI=1S/C7H8O4/c8-5-1-3-7(10-5)4-2-6(9)11-7/h1-4H2
FormulaC7H8O4
PubChem ID77041
Molweight156.14
LogP0.1
Atoms11
Bonds0
H-bond Acceptor4
H-bond Donor0
Chemical Classificationspiroketals esters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


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 name1,10-dioxaspiro[4.5]decane
SMILESC1CCOC2(C1)CCCO2
InchiInChI=1S/C8H14O2/c1-2-6-9-8(4-1)5-3-7-10-8/h1-7H2
FormulaC8H14O2
PubChem ID10888019
Molweight142.2
LogP1.2
Atoms10
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationheterocyclic compounds spiroketals ethers
CHEBI-ID180302

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno


(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
SMILESCC1CCCC2(O1)CCCO2
InchiInChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1
FormulaC9H16O2
PubChem ID12571167
Molweight156.22
LogP1.7
Atoms11
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationspiroketals ethers heterocyclic compounds
CHEBI-ID195753

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
EukaryotaAspergillus Flavussemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaAspergillus Nigersemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaAspergillus Parasiticussemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaPenicillium Glabrumsemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaRhizopus Stolonifersemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus FlavusPDAGC/MSyes
EukaryotaAspergillus NigerPDAGC/MSyes
EukaryotaAspergillus ParasiticusPDAGC/MSyes
EukaryotaPenicillium GlabrumPDAGC/MSyes
EukaryotaRhizopus StoloniferPDAGC/MSyes