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(Q77517720)
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SMTP-0
bioactive natural product
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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
2-(4,8-Dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7-one
1 reference
based on heuristic
inferred from SMILES
mass
385.225308472
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Stachybotrin B
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₁NO₄
0 references
canonical SMILES
CC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)cc3c2CNC3=O)CC1O
0 references
isomeric SMILES
CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O
0 references
found in taxon
Stachybotrys microspora
1 reference
stated in
Isolation and Absolute Configuration of SMTP-0, a Simplest Congener of the SMTP Family Nonlysine-analog Plasminogen Modulators
Stachybotrys microsporus
1 reference
stated in
Isolation and Absolute Configuration of SMTP-0, a Simplest Congener of the SMTP Family Nonlysine-analog Plasminogen Modulators
Identifiers
InChI
InChI=1S/C23H31NO4/c1-14(2)7-5-8-15(3)9-6-10-23(4)20(26)12-17-19(25)11-16-18(21(17)28-23)13-24-22(16)27/h7,9,11,20,25-26H,5-6,8,10,12-13H2,1-4H3,(H,24,27)/t20-,23-/m0/s1
0 references
InChIKey
XGUHYRYUXUVLOK-REWPJTCUSA-N
2 references
stated in
PubChem
PubChem CID
123586886
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
123586886
language of work or name
English
PubChem CID
123586886
2 references
stated in
PubChem
PubChem CID
123586886
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XGUHYRYUXUVLOK-REWPJTCUSA-N
ChEBI ID
208656
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H31NO4/c1-14(2)7-5-8-15(3)9-6-10-23(4)20(26)12-17-19(25)11-16-18(21(17)28-23)13-24-22(16)27/h7,9,11,20,25-26H,5-6,8,10,12-13H2,1-4H3,(H,24,27)/t20-,23-/m0/s1
UniChem compound ID
150021634
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013827
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XGUHYRYUXUVLOK-REWPJTCUSA-N
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