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(Q82880528)
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Neobacin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavonoid
0 references
isoflavone
1 reference
inferred from
isoflavone
mass
564.147905576
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₈O₁₄
0 references
canonical SMILES
O=C1C(=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C12)C=4C=CC(OC5OCC(O)(CO)C5O)=CC4
0 references
found in taxon
Neorautanenia
1 reference
stated in
Isoflavone Glycosides from Neorautanenia amboensis
Identifiers
InChI
InChI=1S/C26H28O14/c27-7-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-8-14(19(18)30)11-1-3-12(4-2-11)38-25-23(34)26(35,9-28)10-37-25/h1-6,8,17,20-25,27-29,31-35H,7,9-10H2
0 references
InChIKey
MYYACPYOKARWKL-UHFFFAOYSA-N
0 references
CAS Registry Number
108069-00-7
0 references
PubChem CID
5491739
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MYYACPYOKARWKL-UHFFFAOYSA-N
ChEBI ID
190384
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H28O14/c27-7-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-8-14(19(18)30)11-1-3-12(4-2-11)38-25-23(34)26(35,9-28)10-37-25/h1-6,8,17,20-25,27-29,31-35H,7,9-10H2
UniChem compound ID
48826314
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00910615
1 reference
matched by identifier from
InChIKey
InChIKey
MYYACPYOKARWKL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801339660
0 references
LIPID MAPS ID
LMPK12050177
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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