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(Q105373336)
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English
4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan
group of stereoisomers with the chemical formula C₂₁H₂₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
3'C-prenylisoflavane
1 reference
inferred from
3'C-prenylisoflavane
3'C-substituted isoflavan
1 reference
inferred from
3'C-substituted isoflavan
mass
340.1674592479999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄O₄
0 references
canonical SMILES
OC1=CC=C2C(OCC(C3=CC=C(O)C(=C3OC)CC=C(C)C)C2)=C1
0 references
Identifiers
InChI
InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3
0 references
InChIKey
ZEJRFMCOSHZBRD-UHFFFAOYSA-N
0 references
PubChem CID
44257507
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZEJRFMCOSHZBRD-UHFFFAOYSA-N
ChEBI ID
175318
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3
UniChem compound ID
31992727
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034010
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZEJRFMCOSHZBRD-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12080007
1 reference
InChIKey
ZEJRFMCOSHZBRD-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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