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(Q105371041)
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English
Isoswertisin 4'-glucoside
group of stereoisomers with the chemical formula C₂₈H₃₂O₁₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
8C-substituted flavone
1 reference
inferred from
8C-substituted flavone
mass
608.1741203239998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₂O₁₅
0 references
canonical SMILES
O=C1C=C(OC=2C1=C(O)C=C(OC)C2C3OC(CO)C(O)C(O)C3O)C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=CC4
0 references
Identifiers
InChI
InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3
0 references
InChIKey
ZCDDNVDFOHBRBE-UHFFFAOYSA-N
0 references
PubChem CID
74977792
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCDDNVDFOHBRBE-UHFFFAOYSA-N
ChEBI ID
176219
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3
UniChem compound ID
32011056
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037416
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCDDNVDFOHBRBE-UHFFFAOYSA-N
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