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(Q104201504)
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English
YABFNIMWFFFBHC-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₃₀H₂₈N₆O₇S₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chaetocin-like alkaloid
1 reference
inferred from
chaetocin-like alkaloid
biogenic 2,5-diketopiperazine
1 reference
inferred from
biogenic 2,5-diketopiperazine
mass
712.0902312360002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₂₈N₆O₇S₄
0 references
canonical SMILES
O=C1N(C)C2(SSC13N(C2=O)C4NC=5C=CC=CC5C4(C3O)C67C=8C=CC=CC8NC7N9C(=O)C%10(SSC9(C(=O)N%10C)C6O)CO)C
0 references
Identifiers
InChI
InChI=1S/C30H28N6O7S4/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3
0 references
InChIKey
YABFNIMWFFFBHC-UHFFFAOYSA-N
0 references
PubChem CID
73656858
3 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
YABFNIMWFFFBHC-UHFFFAOYSA-N
UniChem compound ID
76653427
1 reference
stated in
UniChem
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