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(Q105329439)
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4-bromohamigeran B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7,9-Dibromo-6-hydroxy-3a,8-dimethyl-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4,5-dione
1 reference
based on heuristic
inferred from SMILES
mass
441.9779187
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀Br₂O₃
0 references
canonical SMILES
O=C1C(=O)C2(C)CCC(C2C3=C(Br)C(=C(Br)C(O)=C13)C)C(C)C
0 references
isomeric SMILES
Cc1c(Br)c(O)c2c(c1Br)[C@H]1[C@@H](C(C)C)CC[C@@]1(C)C(=O)C2=O
0 references
found in taxon
Hamigera tarangaensis
2 references
stated in
Chemistry of sponges. 19. Novel bioactive metabolites from Hamigera tarangaensis
stated in
Chemistry of sponges. 19. Novel bioactive metabolites from Hamigera tarangaensis
Identifiers
InChI
InChI=1S/C18H20Br2O3/c1-7(2)9-5-6-18(4)12(9)10-11(16(22)17(18)23)15(21)14(20)8(3)13(10)19/h7,9,12,21H,5-6H2,1-4H3/t9-,12-,18-/m1/s1
0 references
InChIKey
XKEGJOWTEPEJJA-YHRQMHJJSA-N
0 references
PubChem CID
10478608
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XKEGJOWTEPEJJA-YHRQMHJJSA-N
UniChem compound ID
378271
1 reference
stated in
UniChem
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