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(Q82007411)
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English
Oxyline
chemical compound
3-{[2,6-Dideoxy-3-O-methylhexopyranosyl-(1->4)-6-deoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
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Statements
instance of
group of isomeric entities
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
953.1619
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₀H₈₀O₁₇
0 references
canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC9OC(C)C(O)C(OC)C9)C(OC)C8O)C(OC)C7)C(O)C6)CCC5(C)C4CCC23C
0 references
found in taxon
Oxystelma esculentum
1 reference
stated in
A cardenolide tetraglycoside from Oxystelma esculentum
Oxystelma wallichii
1 reference
stated in
A cardenolide tetraglycoside from Oxystelma esculentum
Identifiers
InChI
InChI=1S/C50H80O17/c1-24-41(53)35(56-7)21-39(60-24)66-45-27(4)63-47(42(54)46(45)58-9)67-44-26(3)62-40(22-36(44)57-8)65-43-25(2)61-38(20-34(43)51)64-30-12-15-48(5)29(19-30)10-11-33-32(48)13-16-49(6)31(14-17-50(33,49)55)28-18-37(52)59-23-28/h18,24-27,29-36,38-47,51,53-55H,10-17,19-23H2,1-9H3
0 references
InChIKey
MQKNLRFUHOJEGN-UHFFFAOYSA-N
0 references
CAS Registry Number
15432-97-0
reason for deprecated rank
deprecated identifier value
0 references
132741-68-5
0 references
PubChem CID
195722
0 references
UniChem compound ID
51538942
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20276740
0 references
DTXSID30927791
0 references
DSSTOX compound identifier
DTXCID70227984
0 references
DTXCID40876680
0 references
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