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(Q105386772)
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English
9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside
group of stereoisomers with the chemical formula C₁₉H₃₂O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
megastigmane
1 reference
inferred from
megastigmane
mass
388.209717984
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₂O₈
0 references
canonical SMILES
O=C1C=C(CO)C(CCC(OC2OC(CO)C(O)C(O)C2O)C)C(C)(C)C1
0 references
found in taxon
Medicago truncatula
1 reference
stated in
Erratum to “Metabolite profiling of mycorrhizal roots of Medicago truncatula” [Phytochemistry 69 (2008) 112–146]
Identifiers
InChI
InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3
0 references
InChIKey
ZZFQYZCZBBRLTI-UHFFFAOYSA-N
0 references
PubChem CID
72791584
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZZFQYZCZBBRLTI-UHFFFAOYSA-N
ChEBI ID
175106
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3
UniChem compound ID
32020253
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308948
1 reference
InChIKey
ZZFQYZCZBBRLTI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR311032
1 reference
InChIKey
ZZFQYZCZBBRLTI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0036318
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZZFQYZCZBBRLTI-UHFFFAOYSA-N
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