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(Q83004417)
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O-Desmethylbouvardin
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
biogenic cyclopeptide
0 references
mass
758.327541672
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₉H₄₆N₆O₁₀
0 references
canonical SMILES
CC1NC(=O)C2Cc3ccc(O)c(c3)Oc3ccc(cc3)C(O)C(C(=O)N2C)N(C)C(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(C)NC1=O
0 references
found in taxon
Streptomyces rutgersensis
1 reference
stated in
Microbial transformations of natural antitumor agents XXII: Conversion of bouvardin to O-desmethylbouvardin and bouvardin catechol
Streptomyces diastaticus
1 reference
stated in
Microbial transformations of natural antitumor agents XXII: Conversion of bouvardin to O-desmethylbouvardin and bouvardin catechol
Identifiers
InChI
InChI=1S/C39H46N6O10/c1-20-34(49)41-21(2)37(52)43(4)28(17-23-7-12-26(46)13-8-23)36(51)42-22(3)38(53)45(6)32-33(48)25-10-14-27(15-11-25)55-31-19-24(9-16-30(31)47)18-29(35(50)40-20)44(5)39(32)54/h7-16,19-22,28-29,32-33,46-48H,17-18H2,1-6H3,(H,40,50)(H,41,49)(H,42,51)
0 references
InChIKey
YOCWDXULSGQNRW-UHFFFAOYSA-N
0 references
CAS Registry Number
88360-88-7
0 references
PubChem CID
160296
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YOCWDXULSGQNRW-UHFFFAOYSA-N
UniChem compound ID
27213779
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301008074
1 reference
matched by identifier from
InChIKey
InChIKey
YOCWDXULSGQNRW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID101434918
0 references
NSC number
324579
0 references
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