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(Q105372296)
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English
myrigalone H
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
dihydrochalcones
0 references
mass
286.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₈O₄
0 references
canonical SMILES
O=C(C=1C(OC)=CC(O)=C(C1O)C)CCC=2C=CC=CC2
0 references
found in taxon
Myrica gale
1 reference
stated in
Antioxidant activity of fruit exudate and C-methylated dihydrochalcones from Myrica gale
Syzygium samarangense
1 reference
stated in
Flavonoids and coumarins from Leaves of Phellodendron chinense.
Identifiers
InChI
InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
0 references
InChIKey
ZDJYWPQCNAPESX-UHFFFAOYSA-N
0 references
CAS Registry Number
143502-00-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10085385
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZDJYWPQCNAPESX-UHFFFAOYSA-N
ChEBI ID
168473
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3
UniChem compound ID
32010224
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401174121
1 reference
matched by identifier from
InChIKey
InChIKey
ZDJYWPQCNAPESX-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0041169
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZDJYWPQCNAPESX-UHFFFAOYSA-N
KNApSAcK ID
C00008117
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZDJYWPQCNAPESX-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12120492
1 reference
InChIKey
ZDJYWPQCNAPESX-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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