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(Q105346692)
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English
1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₅H₂₄O₁₂
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
516.126776208
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₄O₁₂
0 references
canonical SMILES
O=C(OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(O)C1O)C=CC3=CC=C(O)C(O)=C3
0 references
found in taxon
Xanthium sibiricum
1 reference
stated in
Thiazinedione from xanthium strumarium
Inula crithmoides
1 reference
stated in
New Quinic Acid Derivatives from Hepatoprotective Inula crithmoides Root Extract
Centella asiatica
1 reference
stated in
Metabolomics-derived insights into the manipulation of terpenoid synthesis in Centella asiatica cells by methyl jasmonate
Identifiers
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)
0 references
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
0 references
PubChem CID
205954
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
UniChem compound ID
48565232
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308724
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR309023
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307520
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307526
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307532
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307538
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307544
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307550
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307556
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307561
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307566
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307572
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307578
1 reference
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR307584
1 reference
InChIKey
YDDUMTOHNYZQPO-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
DTXSID10860455
1 reference
matched by identifier from
InChIKey
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0242355
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDDUMTOHNYZQPO-UHFFFAOYSA-N
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