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(Q77517114)
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English
(+)-3,4-Anhydroshikimic acid methyl este
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4-Epoxy-5-hydroxycyclohexene-1-carboxylic acid methyl ester
1 reference
based on heuristic
inferred from SMILES
mass
170.0579088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₀O₄
0 references
canonical SMILES
O=C(OC)C1=CC2OC2C(O)C1
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isomeric SMILES
COC(=O)C1=C[C@@H]2[C@@H](O2)[C@@H](C1)O
0 references
found in taxon
Streptomyces tendae
1 reference
stated in
Structures of cytochalasin k, l and m, isolated from
Chalara microspora
1 reference
stated in
Structure and Synthesis of the Methyl Ester of 3,4-Anhydroshikimic Acid, Isolated from a Chalara Sp.
Identifiers
InChI
InChI=1S/C8H10O4/c1-11-8(10)4-2-5(9)7-6(3-4)12-7/h3,5-7,9H,2H2,1H3/t5-,6-,7+/m1/s1
0 references
InChIKey
LHPOIQVOXOVXFQ-QYNIQEEDSA-N
2 references
stated in
PubChem
PubChem CID
339336
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
339336
language of work or name
English
CAS Registry Number
90866-43-6
0 references
PubChem CID
339336
2 references
stated in
PubChem
PubChem CID
339336
language of work or name
English
matched by identifier from
InChIKey
InChIKey
LHPOIQVOXOVXFQ-QYNIQEEDSA-N
ChEBI ID
208108
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H10O4/c1-11-8(10)4-2-5(9)7-6(3-4)12-7/h3,5-7,9H,2H2,1H3/t5-,6-,7+/m1/s1
UniChem compound ID
13279471
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80320854
1 reference
matched by identifier from
InChIKey
InChIKey
LHPOIQVOXOVXFQ-QYNIQEEDSA-N
DSSTOX compound identifier
DTXCID00271975
0 references
NSC number
365447
0 references
Natural Product Atlas ID
NPA013723
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LHPOIQVOXOVXFQ-QYNIQEEDSA-N
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