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malettinin D
chemical compound
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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
chemical compound
0 references
malettinin
0 references
chemical structure
Malettinin D.svg
530 × 290; 15 KB
0 references
mass
320.0896028519999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₁₆O₇
0 references
canonical SMILES
CC1=COC2(C1=O)C(C)CC13OC(=O)C2C1(O)OC(=O)C=C3C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1C[C@@]23C(=CC(=O)O[C@@]2([C@@H]([C@]14C(=O)C(=CO4)C)C(=O)O3)O)C
0 references
Identifiers
InChI
InChI=1S/C16H16O7/c1-7-6-21-15(12(7)18)9(3)5-14-8(2)4-10(17)22-16(14,20)11(15)13(19)23-14/h4,6,9,11,20H,5H2,1-3H3/t9-,11+,14+,15-,16+/m0/s1
0 references
InChIKey
AENQUCGUWJQFLJ-PNWSJRKFSA-N
2 references
stated in
PubChem
PubChem CID
134814409
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
134814409
language of work or name
English
PubChem CID
134814409
2 references
stated in
PubChem
PubChem CID
134814409
language of work or name
English
matched by identifier from
InChIKey
InChIKey
AENQUCGUWJQFLJ-PNWSJRKFSA-N
ChEBI ID
214503
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H16O7/c1-7-6-21-15(12(7)18)9(3)5-14-8(2)4-10(17)22-16(14,20)11(15)13(19)23-14/h4,6,9,11,20H,5H2,1-3H3/t9-,11+,14+,15-,16+/m0/s1
UniChem compound ID
153200640
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA010548
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AENQUCGUWJQFLJ-PNWSJRKFSA-N
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