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(Q105308240)
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Metachromin H
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
399.277344044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₇NO₃
0 references
canonical SMILES
O=C1C=C(NCCC(C)C)C(O)=C(C1=O)CC=CCCC2(C(=C)C(C)CCC2)C
0 references
isomeric SMILES
C=C1[C@H](C)CCC[C@]1(C)CC/C=C/CC1=C(O)C(NCCC(C)C)=CC(=O)C1=O
0 references
found in taxon
Dactylospongia metachromia
1 reference
stated in
Metachromins D-H, new cytotoxic sesquiterpenoids from the Okinawan marine sponge Hippospongia metachromia
Identifiers
InChI
InChI=1S/C25H37NO3/c1-17(2)12-15-26-21-16-22(27)24(29)20(23(21)28)11-7-6-8-13-25(5)14-9-10-18(3)19(25)4/h6-7,16-18,26,28H,4,8-15H2,1-3,5H3/b7-6+/t18-,25+/m1/s1
0 references
InChIKey
WLUYFRZIVWTOGA-GCLMWDDLSA-N
0 references
PubChem CID
101634847
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
102996453
1 reference
stated in
UniChem
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