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(Q82882422)
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Xanthoxylol
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
benzodioxoles
0 references
aromatic ether
0 references
phenol
0 references
mass
356.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀O₆
0 references
canonical SMILES
OC1=CC=C(C=C1OC)C2OCC3C(OCC23)C4=CC=C5OCOC5=C4
0 references
found in taxon
Zanthoxylum schinifolium
3 references
stated in
Protolimonoid and lignans from Zanthoxylum petiolare
stated in
The chemical constituents of Australian Zanthoxylum species. V. The constituents of Z. pluviatile Hartley; the structures of two new lignans
stated in
Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity
Zanthoxylum bungeanum
3 references
stated in
Protolimonoid and lignans from Zanthoxylum petiolare
stated in
The chemical constituents of Australian Zanthoxylum species. V. The constituents of Z. pluviatile Hartley; the structures of two new lignans
stated in
Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity
Daphne tangutica
1 reference
stated in
Chemical constituents investigation of Daphne tangutica.
Zanthoxylum wutaiense
2 references
stated in
The chemical constituents of Australian Zanthoxylum species. V. The constituents of Z. pluviatile Hartley; the structures of two new lignans
stated in
Protolimonoid and lignans from Zanthoxylum petiolare
Zanthoxylum piperitum
3 references
stated in
Protolimonoid and lignans from Zanthoxylum petiolare
stated in
Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity
stated in
Studies on Xanthoxylun spp. II. Constituents of the bark of Xanthoxylum piperitum DC.
Identifiers
InChI
InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3
0 references
InChIKey
VBIRCRCPHNUJAS-UHFFFAOYSA-N
0 references
CAS Registry Number
111407-29-5
0 references
PubChem CID
130679
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VBIRCRCPHNUJAS-UHFFFAOYSA-N
ChEBI ID
172581
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3
UniChem compound ID
25950636
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50912149
1 reference
matched by identifier from
InChIKey
InChIKey
VBIRCRCPHNUJAS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID501341175
0 references
Human Metabolome Database ID
HMDB0029459
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VBIRCRCPHNUJAS-UHFFFAOYSA-N
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