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(Q105156772)
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English
calphostin C
group of stereoisomers with the chemical formula C₄₄H₃₈O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
790.7658
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₄H₃₈O₁₄
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canonical SMILES
O=C(OC1=CC=C(O)C=C1)OC(C)CC2=C(OC)C(O)=C3C(=O)C=C(OC)C4=C5C(OC)=CC(=O)C=6C(O)=C(OC)C(=C(C65)C2=C34)CC(OC(=O)C=7C=CC=CC7)C
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Identifiers
InChI
InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3
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InChIKey
LSUTUUOITDQYNO-UHFFFAOYSA-N
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PubChem CID
2533
1 reference
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL3469324
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
55243664
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0249564
1 reference
based on heuristic
inferred from InChIKey
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