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(Q110172557)
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English
[3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-1,4-dioxo-6,10-dihydro-5aH-pyrazino[1,2-a]indol-6-yl] acetate
group of stereoisomers with the chemical formula C₁₇H₂₂N₂O₅S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
398.097013804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂N₂O₅S₂
0 references
canonical SMILES
O=C(OC1C=CC=C2CC3(SC)C(=O)N(C)C(SC)(C(=O)N3C21)CO)C
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found in taxon
Aspergillus fischeri
1 reference
stated in
Exploring the chemodiversity and biological activities of the secondary metabolites from the marine fungus Neosartorya pseudofischeri
Neosartorya pseudofischeri
1 reference
stated in
Exploring the chemodiversity and biological activities of the secondary metabolites from the marine fungus Neosartorya pseudofischeri
Neosartorya fischeri
1 reference
stated in
Exploring the chemodiversity and biological activities of the secondary metabolites from the marine fungus Neosartorya pseudofischeri
Identifiers
InChI
InChI=1S/C17H22N2O5S2/c1-10(21)24-12-7-5-6-11-8-16(25-3)14(22)18(2)17(9-20,26-4)15(23)19(16)13(11)12/h5-7,12-13,20H,8-9H2,1-4H3
0 references
InChIKey
VXWHYQLJXLMKDT-UHFFFAOYSA-N
0 references
PubChem CID
75226214
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VXWHYQLJXLMKDT-UHFFFAOYSA-N
ChEBI ID
218577
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H22N2O5S2/c1-10(21)24-12-7-5-6-11-8-16(25-3)14(22)18(2)17(9-20,26-4)15(23)19(16)13(11)12/h5-7,12-13,20H,8-9H2,1-4H3
Natural Product Atlas ID
NPA032504
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VXWHYQLJXLMKDT-UHFFFAOYSA-N
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