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(Q104403005)
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English
claussequinone
group of stereoisomers with the chemical formula C₁₆H₁₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
isoflavane quinonoid
1 reference
inferred from
isoflavane quinonoid
mass
286.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₄O₅
0 references
canonical SMILES
O=C1C=C(C(=O)C=C1OC)C2COC3=CC(O)=CC=C3C2
0 references
found in taxon
Dalbergia candenatensis
1 reference
stated in
Isoflavan and related compounds from Dalbergia odorifera. I.
Dalbergia odorifera
1 reference
stated in
Traditional medicinal plants of Thailand, VIII. Isoflavonoids of Dalbergia candenatensis.
Cyclolobium claussenii
1 reference
stated in
Isoflavonoids from Cyclolobium species
Cyclolobium brasiliense
1 reference
stated in
Isoflavonoids from Cyclolobium species
Cyclolobium vecchi
1 reference
stated in
Isoflavonoids from Cyclolobium species
Identifiers
InChI
InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3
0 references
InChIKey
PDAKXMIQFUHWQC-UHFFFAOYSA-N
0 references
PubChem CID
100072
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PDAKXMIQFUHWQC-UHFFFAOYSA-N
ChEBI ID
177044
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3
UniChem compound ID
32049639
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fiocruz-FIO00282
0 references
MSBNK-Fiocruz-FIO00283
0 references
MSBNK-Fiocruz-FIO00284
0 references
MSBNK-Fiocruz-FIO00285
0 references
MSBNK-Fiocruz-FIO00286
0 references
NMRShiftDB structure ID
20182157
1 reference
matched by identifier from
InChIKey
InChIKey
PDAKXMIQFUHWQC-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12080051
1 reference
InChIKey
PDAKXMIQFUHWQC-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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