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(Q77281171)
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Marfuraquinocin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-ethyl-4-hydroxy-7-methoxy-3-methyl-2H-benzo[g][1]benzofuran-6,9-dione
1 reference
based on heuristic
inferred from SMILES
mass
438.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Marfuraquinocin B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₄O₅
0 references
canonical SMILES
O=C1C=C(OC)C(=O)C2=CC(O)=C3C(OC(CC)C3(C)CCC4C(=C)CCCC4(C)C)=C12
0 references
isomeric SMILES
C=C1CCCC(C)(C)C1CC[C@@]1(C)c2c(O)cc3c(c2O[C@@H]1CC)C(=O)C=C(OC)C3=O
0 references
found in taxon
Actinoalloteichus cyanogriseus
1 reference
stated in
Cytotoxic and antibacterial marfuraquinocins from the deep South China Sea-derived Streptomyces niveus SCSIO 3406.
Streptomyces niveus
1 reference
stated in
Cytotoxic and antibacterial marfuraquinocins from the deep South China Sea-derived Streptomyces niveus SCSIO 3406.
Identifiers
InChI
InChI=1S/C27H34O5/c1-7-21-27(5,12-10-17-15(2)9-8-11-26(17,3)4)23-19(29)13-16-22(25(23)32-21)18(28)14-20(31-6)24(16)30/h13-14,17,21,29H,2,7-12H2,1,3-6H3/t17?,21-,27-/m1/s1
0 references
InChIKey
FBKTXRWCMSOJAX-DVIKFTFBSA-N
2 references
stated in
PubChem
PubChem CID
139584225
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139584225
language of work or name
English
PubChem CID
139584225
2 references
stated in
PubChem
PubChem CID
139584225
language of work or name
English
matched by identifier from
InChIKey
InChIKey
FBKTXRWCMSOJAX-DVIKFTFBSA-N
ChEBI ID
201081
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H34O5/c1-7-21-27(5,12-10-17-15(2)9-8-11-26(17,3)4)23-19(29)13-16-22(25(23)32-21)18(28)14-20(31-6)24(16)30/h13-14,17,21,29H,2,7-12H2,1,3-6H3/t17?,21-,27-/m1/s1
UniChem compound ID
170907718
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004101
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FBKTXRWCMSOJAX-DVIKFTFBSA-N
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