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English
Conrauinone B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
isoflavone
0 references
mass
464.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₈O₇
0 references
canonical SMILES
O=C1C(=COC=2C=C(OCC=C(C)CC=CC(O)(C)C)C(OC)=CC21)C=3C=CC=4OCOC4C3
0 references
isomeric SMILES
COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC/C=C(\C)C/C=C/C(C)(C)O
1 reference
based on heuristic
inferred from InChI
found in taxon
Millettia conraui
1 reference
stated in
Conrauinones A and B, Two New Isoflavones from Stem Bark of Millettia conraui1
Identifiers
InChI
InChI=1S/C27H28O7/c1-17(6-5-10-27(2,3)29)9-11-31-25-14-22-19(13-23(25)30-4)26(28)20(15-32-22)18-7-8-21-24(12-18)34-16-33-21/h5,7-10,12-15,29H,6,11,16H2,1-4H3/b10-5+,17-9+
0 references
InChIKey
BJBINROOJFYWBC-FOHIQKNHSA-N
0 references
PubChem CID
10647822
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BJBINROOJFYWBC-FOHIQKNHSA-N
UniChem compound ID
34352695
1 reference
stated in
UniChem
KNApSAcK ID
C00019100
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BJBINROOJFYWBC-FOHIQKNHSA-N
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