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(Q104202995)
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English
Trichophycin E
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
452.088447692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₁BrCl₂O₂
0 references
canonical SMILES
ClC=CCC(O)C(C)CC(C)CCC(O)CC(=CCl)CCCC#CBr
0 references
isomeric SMILES
C[C@H](CC[C@@H](O)C/C(=C/Cl)CCCC#CBr)C[C@@H](C)[C@@H](O)C/C=C/Cl
0 references
found in taxon
Trichodesmium
1 reference
stated in
Trichophycins B-F, chlorovinylidene-containing polyketides isolated from a cyanobacterial bloom
Trichodesmium thiebautii
1 reference
stated in
Isolation of Isotrichophycin C and Trichophycins G-I from a Collection of Trichodesmium thiebautii
Oscillatoria thiebautii
1 reference
stated in
Isolation of Isotrichophycin C and Trichophycins G-I from a Collection of Trichodesmium thiebautii
Identifiers
InChI
InChI=1S/C20H31BrCl2O2/c1-16(13-17(2)20(25)8-6-12-22)9-10-19(24)14-18(15-23)7-4-3-5-11-21/h6,12,15-17,19-20,24-25H,3-4,7-10,13-14H2,1-2H3/b12-6+,18-15+/t16-,17-,19-,20+/m1/s1
0 references
InChIKey
ZCYDJOFQQAFCJI-NZIPSRDRSA-N
0 references
PubChem CID
146683652
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCYDJOFQQAFCJI-NZIPSRDRSA-N
ChEBI ID
212724
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H31BrCl2O2/c1-16(13-17(2)20(25)8-6-12-22)9-10-19(24)14-18(15-23)7-4-3-5-11-21/h6,12,15-17,19-20,24-25H,3-4,7-10,13-14H2,1-2H3/b12-6+,18-15+/t16-,17-,19-,20+/m1/s1
UniChem compound ID
178087013
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101334140
1 reference
matched by identifier from
InChIKey
InChIKey
ZCYDJOFQQAFCJI-NZIPSRDRSA-N
Natural Product Atlas ID
NPA027279
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCYDJOFQQAFCJI-NZIPSRDRSA-N
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