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(Q77562629)
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English
Paraphaeosphaeride A
bioactive natural product
In more languages
default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
367.108958392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁NO₆S
0 references
canonical SMILES
O=C(O)C1=CSCC2C=3OC(CCCCC)C(O)(C(=O)C3C(=O)N12)C
0 references
isomeric SMILES
CCCCC[C@H]1[C@](C(=O)C2=C(O1)[C@H]3CSC=C(N3C2=O)C(=O)O)(C)O
0 references
found in taxon
Paraphaeosphaeria neglecta
1 reference
stated in
A New Metabolite with a Unique 4-Pyranone-γ-Lactam-1,4-Thiazine Moiety from a Hawaiian-Plant Associated Fungus
Identifiers
InChI
InChI=1S/C17H21NO6S/c1-3-4-5-6-11-17(2,23)14(19)12-13(24-11)9-7-25-8-10(16(21)22)18(9)15(12)20/h8-9,11,23H,3-7H2,1-2H3,(H,21,22)/t9-,11+,17+/m1/s1
0 references
InChIKey
GLOXYNJNKIDEIR-NVTQBHAOSA-N
2 references
stated in
PubChem
PubChem CID
122228020
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
122228020
language of work or name
English
PubChem CID
122228020
2 references
stated in
PubChem
PubChem CID
122228020
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GLOXYNJNKIDEIR-NVTQBHAOSA-N
ChEBI ID
215321
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H21NO6S/c1-3-4-5-6-11-17(2,23)14(19)12-13(24-11)9-7-25-8-10(16(21)22)18(9)15(12)20/h8-9,11,23H,3-7H2,1-2H3,(H,21,22)/t9-,11+,17+/m1/s1
UniChem compound ID
147836873
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015089
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GLOXYNJNKIDEIR-NVTQBHAOSA-N
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