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(Q110198489)
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English
17-Ethyl-2,3,12,15,16-pentahydroxy-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
group of stereoisomers with the chemical formula C₂₁H₂₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
424.173332476
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₉
0 references
canonical SMILES
O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C(O)C(O)C5(OCC24C5(O)C1O)CC)C
0 references
found in taxon
Brucea javanica
1 reference
stated in
Anti-tobacco mosaic virus (TMV) Quassinoids from Brucea javanica (L.) Merr
Identifiers
InChI
InChI=1S/C21H28O9/c1-4-20-15(25)12(23)13-18(3)9(8(2)5-10(22)14(18)24)6-11-19(13,7-29-20)21(20,28)16(26)17(27)30-11/h5,9,11-16,23-26,28H,4,6-7H2,1-3H3
0 references
InChIKey
JNWQHCRSOPJNEB-UHFFFAOYSA-N
0 references
PubChem CID
163045839
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JNWQHCRSOPJNEB-UHFFFAOYSA-N
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