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English
Phallacin
group of stereoisomers with the chemical formula C₃₇H₅₀N₈O₁₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic cyclopeptide
1 reference
inferred from
biogenic cyclopeptide
mass
830.32689004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₅₀N₈O₁₂S
0 references
canonical SMILES
CC1NC(=O)C2CC(O)CN2C(=O)C2CSc3[nH]c4ccccc4c3CC(NC1=O)C(=O)NC(CC(C)(C)O)C(=O)NC(C(C)C)C(=O)NC(C(O)C(=O)O)C(=O)N2
0 references
found in taxon
Amanita phalloides
1 reference
stated in
Assay for the main phallotoxins in Amanita phalloides Fr. by direct fluorimetry on thin-layer plates
Identifiers
InChI
InChI=1S/C37H50N8O12S/c1-15(2)25-32(52)44-26(27(47)36(55)56)33(53)41-23-14-58-34-19(18-8-6-7-9-20(18)42-34)11-21(29(49)40-22(30(50)43-25)12-37(4,5)57)39-28(48)16(3)38-31(51)24-10-17(46)13-45(24)35(23)54/h6-9,15-17,21-27,42,46-47,57H,10-14H2,1-5H3,(H,38,51)(H,39,48)(H,40,49)(H,41,53)(H,43,50)(H,44,52)(H,55,56)
0 references
InChIKey
LAVFLHFIXHMDLZ-UHFFFAOYSA-N
0 references
PubChem CID
171277
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LAVFLHFIXHMDLZ-UHFFFAOYSA-N
UniChem compound ID
47889188
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901046337
1 reference
matched by identifier from
InChIKey
InChIKey
LAVFLHFIXHMDLZ-UHFFFAOYSA-N
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