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(Q104402337)
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English
Tetrahydrohalenaquinone A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8,17-Dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,9,13(20)-tetraene-5,12-dione
1 reference
based on heuristic
inferred from SMILES
mass
340.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀O₅
0 references
canonical SMILES
O=C1C=2OCC3C2C(C=4C=C5C(=O)CCC(O)C5=CC14)(C)CCC3O
0 references
isomeric SMILES
C[C@@]12CC[C@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(cc12)C(=O)CC[C@@H]3O
0 references
found in taxon
Neopetrosia carbonaria
1 reference
stated in
Protein tyrosine kinase inhibitory properties of planar polycyclics obtained from the marine sponge Xestospongia cf. carbonaria and from total synthesis
Xestospongia
1 reference
stated in
New bioactive halenaquinone derivatives from South Pacific marine sponges of the genus Xestospongia
Identifiers
InChI
InChI=1S/C20H20O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h6-7,12,14,16,21,23H,2-5,8H2,1H3/t12-,14-,16-,20-/m0/s1
0 references
InChIKey
LDBFCXDBDKSROL-DXJCSPRDSA-N
0 references
PubChem CID
10404984
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LDBFCXDBDKSROL-DXJCSPRDSA-N
UniChem compound ID
641980
1 reference
stated in
UniChem
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