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(Q77386875)
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English
PD116779
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
benzo[a]anthracene polyketide
0 references
mass
338.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₄O₆
0 references
canonical SMILES
O=C1C2=CC=C3C(C(=O)C(O)C(O)(C)C3)=C2C(=O)C=4C=CC=C(O)C14
0 references
isomeric SMILES
C[C@]1(CC2=C(C(=O)[C@@H]1O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O)O
0 references
found in taxon
Amycolatopsis
3 references
stated in
PD 116,779, a new antitumor antibiotic of the benz[a]anthraquinone class
stated in
Angucyclines from an insect-derived actinobacterium Amycolatopsis sp. HCa1 and their cytotoxic activity
stated in
Cytotoxic angucyclines from Amycolatopsis sp. HCa1, a rare actinobacteria derived from Oxya chinensis
Identifiers
InChI
InChI=1S/C19H14O6/c1-19(25)7-8-5-6-10-14(12(8)17(23)18(19)24)16(22)9-3-2-4-11(20)13(9)15(10)21/h2-6,18,20,24-25H,7H2,1H3/t18-,19+/m0/s1
0 references
InChIKey
ZGIMJLWQWQRQNJ-RBUKOAKNSA-N
2 references
stated in
PubChem
PubChem CID
71461512
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
71461512
language of work or name
English
PubChem CID
71461512
2 references
stated in
PubChem
PubChem CID
71461512
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ZGIMJLWQWQRQNJ-RBUKOAKNSA-N
ChEBI ID
204597
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H14O6/c1-19(25)7-8-5-6-10-14(12(8)17(23)18(19)24)16(22)9-3-2-4-11(20)13(9)15(10)21/h2-6,18,20,24-25H,7H2,1H3/t18-,19+/m0/s1
UniChem compound ID
31990359
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007729
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZGIMJLWQWQRQNJ-RBUKOAKNSA-N
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