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(Q77566117)
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English
Xylaric acid C
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-[3-hydroxy-6-isopropyl-2-(methoxycarbonyl)-3-(methoxymethyl)cyclohexyl]-2-(hydroxymethyl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
344.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₈O₇
0 references
canonical SMILES
O=C(O)C(=CC1C(C(=O)OC)C(O)(COC)CCC1C(C)C)CO
0 references
isomeric SMILES
CC(C)[C@H]1CC[C@]([C@H]([C@@H]1/C=C(\CO)/C(=O)O)C(=O)OC)(COC)O
0 references
found in taxon
Xylaria
1 reference
stated in
Terpenoid and phenolic metabolites from the fungus xylaria sp. associated with termite nests
Identifiers
InChI
InChI=1S/C17H28O7/c1-10(2)12-5-6-17(22,9-23-3)14(16(21)24-4)13(12)7-11(8-18)15(19)20/h7,10,12-14,18,22H,5-6,8-9H2,1-4H3,(H,19,20)/b11-7+/t12-,13-,14-,17-/m1/s1
0 references
InChIKey
CTXQYGFBTHMPMF-QIFAGBGNSA-N
2 references
stated in
PubChem
PubChem CID
139587443
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587443
language of work or name
English
PubChem CID
139587443
2 references
stated in
PubChem
PubChem CID
139587443
language of work or name
English
matched by identifier from
InChIKey
InChIKey
CTXQYGFBTHMPMF-QIFAGBGNSA-N
ChEBI ID
218106
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H28O7/c1-10(2)12-5-6-17(22,9-23-3)14(16(21)24-4)13(12)7-11(8-18)15(19)20/h7,10,12-14,18,22H,5-6,8-9H2,1-4H3,(H,19,20)/b11-7+/t12-,13-,14-,17-/m1/s1
UniChem compound ID
170910577
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015601
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CTXQYGFBTHMPMF-QIFAGBGNSA-N
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