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Thielocin B3
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
depside
0 references
mass
1,130.414744512
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆₂H₆₆O₂₀
0 references
canonical SMILES
CC1=C(C(=C(C(=C1C2=C(C(=C(C(=C2CC(=O)O)C)O)CC3=CC(=C(C(=C3O)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)O)OC)C)OC)C)C)O)O)C)OC)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)C
0 references
found in taxon
Chaetomium terricola
1 reference
stated in
Thielocin B3, a novel antiinflammatory human group II phospholipase A2 specific inhibitor from ascomycetes
Pseudothielavia terricola
1 reference
stated in
Thielocin B3, a novel antiinflammatory human group II phospholipase A2 specific inhibitor from ascomycetes
Identifiers
InChI
InChI=1S/C62H66O20/c1-22-23(2)45(61(74)81-51-27(6)24(3)43(58(69)70)55(77-16)33(51)12)54(76-15)32(11)41(22)47-37(21-40(64)65)30(9)48(66)38(50(47)68)19-36-20-39(63)31(10)42(49(36)67)60(73)80-53-29(8)26(5)46(57(79-18)35(53)14)62(75)82-52-28(7)25(4)44(59(71)72)56(78-17)34(52)13/h20,63,66-68H,19,21H2,1-18H3,(H,64,65)(H,69,70)(H,71,72)
0 references
InChIKey
SJKGYSSWTDGUHO-UHFFFAOYSA-N
0 references
CAS Registry Number
143716-44-3
0 references
PubChem CID
16131038
1 reference
matched by identifier from
InChIKey
InChIKey
SJKGYSSWTDGUHO-UHFFFAOYSA-N
UniChem compound ID
57400500
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50162526
1 reference
matched by identifier from
InChIKey
InChIKey
SJKGYSSWTDGUHO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID7085017
0 references
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