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English
Sisymbrifolin
group of stereoisomers with the chemical formula C₂₀H₂₄O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic benzofuran
1 reference
inferred from
biogenic benzofuran
mass
392.147117728
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₈
0 references
canonical SMILES
OC1=CC=C(C=C1OC)C2OC3=C(OC)C=C(C=C3C2CO)C(O)C(O)CO
0 references
isomeric SMILES
COc1cc([C@H]2Oc3c(OC)cc(C(O)C(O)CO)cc3[C@@H]2CO)ccc1O
0 references
found in taxon
Solanum sisymbriifolium
1 reference
stated in
A neolignan and sterols in fruits of Solanum sisymbrifolium
Identifiers
InChI
InChI=1S/C20H24O8/c1-26-16-6-10(3-4-14(16)23)19-13(8-21)12-5-11(18(25)15(24)9-22)7-17(27-2)20(12)28-19/h3-7,13,15,18-19,21-25H,8-9H2,1-2H3/t13-,15?,18?,19+/m0/s1
0 references
InChIKey
APJXMEVQVACVMD-FHAXBAFOSA-N
0 references
PubChem CID
101690824
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
APJXMEVQVACVMD-FHAXBAFOSA-N
UniChem compound ID
97515780
1 reference
stated in
UniChem
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