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(Q77368858)
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Bequinostatin C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
anthracycline polyketide
0 references
mass
486.131467664
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₂O₈
0 references
canonical SMILES
CCCCCC1=C(C(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(=O)C5=C(C4=O)C(=CC(=C5)O)O)O)O)C(=O)O
0 references
found in taxon
Streptomyces
2 references
stated in
Bequinostatins C and D, new inhibitors of glutathione S-transferase, produced by Streptomyces sp. MI384-DF12
stated in
Bequinostatins C and D, new inhibitors of glutathione S-transferase, produced by Streptomyces sp. MI384-DF12
Identifiers
InChI
InChI=1S/C28H22O8/c1-2-3-4-5-12-8-13-6-7-15-16(20(13)26(33)21(12)28(35)36)11-18-23(25(15)32)27(34)22-17(24(18)31)9-14(29)10-19(22)30/h6-11,29-30,32-33H,2-5H2,1H3,(H,35,36)
0 references
InChIKey
NJGDHHRUAFIFFQ-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
198787
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
198787
language of work or name
English
CAS Registry Number
152175-74-1
0 references
PubChem CID
198787
2 references
stated in
PubChem
PubChem CID
198787
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NJGDHHRUAFIFFQ-UHFFFAOYSA-N
ChEBI ID
202050
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H22O8/c1-2-3-4-5-12-8-13-6-7-15-16(20(13)26(33)21(12)28(35)36)11-18-23(25(15)32)27(34)22-17(24(18)31)9-14(29)10-19(22)30/h6-11,29-30,32-33H,2-5H2,1H3,(H,35,36)
UniChem compound ID
32044696
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70164966
1 reference
matched by identifier from
InChIKey
InChIKey
NJGDHHRUAFIFFQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9087457
0 references
KNApSAcK ID
C00016869
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NJGDHHRUAFIFFQ-UHFFFAOYSA-N
Natural Product Atlas ID
NPA004795
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NJGDHHRUAFIFFQ-UHFFFAOYSA-N
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