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(Q115972232)
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Tristichone B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
330.046671188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₉BrO₄
0 references
canonical SMILES
O=C1CCC2(C3OC13)C4(OC4)CC(O)C(Br)C2(C)C
0 references
isomeric SMILES
CC1(C)[C@H](Br)[C@H](O)C[C@@]2(CO2)[C@@]12CCC(=O)[C@@H]1O[C@@H]12
0 references
found in taxon
Laurencia tristicha
1 reference
stated in
Halogenated Sesquiterpenoids from the Red Alga Laurencia tristicha Collected in Taiwan.
Identifiers
InChI
InChI=1S/C14H19BrO4/c1-12(2)10(15)8(17)5-13(6-18-13)14(12)4-3-7(16)9-11(14)19-9/h8-11,17H,3-6H2,1-2H3/t8-,9+,10-,11+,13-,14-/m1/s1
0 references
InChIKey
NPINTMJCJIMFCQ-PNQJMIKCSA-N
0 references
PubChem CID
132525077
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NPINTMJCJIMFCQ-PNQJMIKCSA-N
UniChem compound ID
164510876
1 reference
stated in
UniChem
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