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(Q74411609)
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English
trichosetin(1-)
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
mass
358.2023819559099
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₈NO₄⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC=CC1C=CC2CC(C)CCC2C1(C)C([O-])=C1C(=O)NC(CO)C1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C/C=C/[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)/C(=C/3\C(=O)[C@@H](NC3=O)CO)/[O-])C
0 references
Identifiers
InChI
InChI=1S/C21H29NO4/c1-4-5-14-8-7-13-10-12(2)6-9-15(13)21(14,3)19(25)17-18(24)16(11-23)22-20(17)26/h4-5,7-8,12-16,23,25H,6,9-11H2,1-3H3,(H,22,26)/p-1/b5-4+,19-17-/t12-,13-,14-,15-,16+,21-/m1/s1
0 references
InChIKey
TYCWBBBQIATAJE-GEZPOGBYSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
134814698
1 reference
matched by identifier from
InChIKey
InChIKey
TYCWBBBQIATAJE-GEZPOGBYSA-M
ChEBI ID
142061
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H29NO4/c1-4-5-14-8-7-13-10-12(2)6-9-15(13)21(14,3)19(25)17-18(24)16(11-23)22-20(17)26/h4-5,7-8,12-16,23,25H,6,9-11H2,1-3H3,(H,22,26)/p-1/b5-4+,19-17-/t12-,13-,14-,15-,16+,21-/m1/s1
UniChem compound ID
167026039
1 reference
stated in
UniChem
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