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(Q104200729)
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English
Obtusinin
group of stereoisomers with the chemical formula C₁₅H₁₈O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
294.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₆
0 references
canonical SMILES
O=C1OC=2C=C(OCC(O)C(O)(C)C)C(OC)=CC2C=C1
0 references
found in taxon
Psidium guajava
1 reference
stated in
Triterpenoids from Psidium guajava leaves
Haplophyllum ramosissimum
1 reference
stated in
Components of the leaves of Haplophyllum ramosissimum
Pterocaulon alopecuroides
1 reference
stated in
Coumarins from Pterocaulon balansae and P. lanatum
Haplophyllum obtusifolium
2 references
stated in
13C NMR spectra of some coumarins of Haplophyllum obtusifolium
stated in
A study of the coumarins ofHaplophyllum obtusifolium. The structure of obtusidin and of obtusiprenin
Identifiers
InChI
InChI=1S/C15H18O6/c1-15(2,18)13(16)8-20-12-7-10-9(6-11(12)19-3)4-5-14(17)21-10/h4-7,13,16,18H,8H2,1-3H3
0 references
InChIKey
WXTWDABXJFQNRI-UHFFFAOYSA-N
0 references
PubChem CID
3604942
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WXTWDABXJFQNRI-UHFFFAOYSA-N
UniChem compound ID
700506
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_NPDepo-NGA02977
1 reference
InChIKey
WXTWDABXJFQNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA02978
1 reference
InChIKey
WXTWDABXJFQNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA02979
1 reference
InChIKey
WXTWDABXJFQNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA02980
1 reference
InChIKey
WXTWDABXJFQNRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID601346661
1 reference
matched by identifier from
InChIKey
InChIKey
WXTWDABXJFQNRI-UHFFFAOYSA-N
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