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(Q90537492)
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English
Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aS,8aS,9R)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₂₂H₂₂O₈
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canonical SMILES
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3
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InChIKey
YJGVMLPVUAXIQN-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
55568-79-1
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PubChem CID
4865
1 reference
matched by identifier from
InChIKey
InChIKey
YJGVMLPVUAXIQN-UHFFFAOYSA-N
ChEBI ID
125371
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3
SureChEMBL ID
SCHEMBL159599
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YJGVMLPVUAXIQN-UHFFFAOYSA-N
DSSTox substance ID
DTXSID301347791
1 reference
matched by identifier from
InChIKey
InChIKey
YJGVMLPVUAXIQN-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0246672
1 reference
matched by identifier from
InChIKey
InChIKey
YJGVMLPVUAXIQN-UHFFFAOYSA-N
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