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(Q104403603)
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English
lespedeol B
group of stereoisomers with the chemical formula C₂₅H₂₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
6C-substituted isoflavanone
1 reference
inferred from
6C-substituted isoflavanone
isoflavonoid
0 references
mass
422.17293855199983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₆O₆
0 references
canonical SMILES
O=C1C2=C(O)C=3C=CC(OC3C=C2OCC1C4=CC=C(O)C=C4O)(C)CCC=C(C)C
0 references
Identifiers
InChI
InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-20(31-25)12-21-22(23(17)28)24(29)18(13-30-21)16-7-6-15(26)11-19(16)27/h5-8,10-12,18,26-28H,4,9,13H2,1-3H3
0 references
InChIKey
CSZKAJDXUNNJKV-UHFFFAOYSA-N
0 references
PubChem CID
44257393
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
187664
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-20(31-25)12-21-22(23(17)28)24(29)18(13-30-21)16-7-6-15(26)11-19(16)27/h5-8,10-12,18,26-28H,4,9,13H2,1-3H3
UniChem compound ID
50493566
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12050496
1 reference
InChIKey
CSZKAJDXUNNJKV-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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