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(Q77570759)
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Anguinomycin D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(1E,3E,7E,9E,17E)-3-ethyl-14-hydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-2,3-dihydropyran-6-one
1 reference
based on heuristic
inferred from SMILES
mass
496.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₄₈O₄
0 references
canonical SMILES
O=C1OC(C=CC(=CC(C)CC=CC(=CC(C(=O)C(C)C(O)C(C)CC(=CC)C)C)C)CC)CC=C1
0 references
isomeric SMILES
C/C=C(\C)CC(C)C(O)C(C)C(=O)C(C)/C=C(C)/C=C/CC(C)/C=C(\C=C\C1CC=CC(=O)O1)CC
1 reference
based on heuristic
inferred from InChI
found in taxon
Streptomyces
1 reference
stated in
Anguinomycins C and D, New Antitumor Antibiotics with Selective Cytotoxicity against Transformed Cells
Identifiers
InChI
InChI=1S/C32H48O4/c1-9-22(3)19-25(6)31(34)27(8)32(35)26(7)20-23(4)13-11-14-24(5)21-28(10-2)17-18-29-15-12-16-30(33)36-29/h9,11-13,16-18,20-21,24-27,29,31,34H,10,14-15,19H2,1-8H3/b13-11+,18-17+,22-9+,23-20+,28-21-
0 references
InChIKey
SZXKSXNBIHAJNK-VFYJIWPPSA-N
2 references
stated in
PubChem
PubChem CID
9854577
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
9854577
language of work or name
English
PubChem CID
9854577
2 references
stated in
PubChem
PubChem CID
9854577
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SZXKSXNBIHAJNK-VFYJIWPPSA-N
ChEBI ID
221963
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C32H48O4/c1-9-22(3)19-25(6)31(34)27(8)32(35)26(7)20-23(4)13-11-14-24(5)21-28(10-2)17-18-29-15-12-16-30(33)36-29/h9,11-13,16-18,20-21,24-27,29,31,34H,10,14-15,19H2,1-8H3/b13-11+,18-17+,22-9+,23-20+,28-21-
UniChem compound ID
32026476
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016331
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SZXKSXNBIHAJNK-VFYJIWPPSA-N
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