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(Q104395493)
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English
robustone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavonoid
0 references
6C-substituted isoflavone
0 references
6C-prenylisoflavone
0 references
mass
364.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₆O₆
0 references
canonical SMILES
O=C1C(=COC=2C=C3OC(C=CC3=C(O)C21)(C)C)C=4C=CC=5OCOC5C4
0 references
found in taxon
Millettia thonningii
2 references
stated in
Thonningine-A and thonningine-B: two 3-phenylcoumarins from the seeds of Millettia thonningii
stated in
Isoflavones and coumarins from Milletia thonningii
Deguelia scandens
1 reference
stated in
A benzil and isoflavone derivatives from Derris scandens Benth
Identifiers
InChI
InChI=1S/C21H16O6/c1-21(2)6-5-12-15(27-21)8-17-18(19(12)22)20(23)13(9-24-17)11-3-4-14-16(7-11)26-10-25-14/h3-9,22H,10H2,1-2H3
0 references
InChIKey
KGSSUTVUTPLSQW-UHFFFAOYSA-N
0 references
PubChem CID
5983661
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KGSSUTVUTPLSQW-UHFFFAOYSA-N
ChEBI ID
188957
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H16O6/c1-21(2)6-5-12-15(27-21)8-17-18(19(12)22)20(23)13(9-24-17)11-3-4-14-16(7-11)26-10-25-14/h3-9,22H,10H2,1-2H3
UniChem compound ID
195567
1 reference
stated in
UniChem
KNApSAcK ID
C00009503
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KGSSUTVUTPLSQW-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12050245
1 reference
InChIKey
KGSSUTVUTPLSQW-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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