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(Q77281361)
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English
xenocyloin E
bioactive natural product
(2S,4S)-1-(1H-indol-3-yl)-4-methyl-3-oxohexan-2-yl propanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
[1-(1H-indol-3-yl)-4-methyl-3-oxohexan-2-yl] propanoate
1 reference
based on heuristic
inferred from SMILES
mass
301.167793596
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₃NO₃
0 references
canonical SMILES
O=C(OC(C(=O)C(C)CC)CC1=CNC=2C=CC=CC21)CC
0 references
isomeric SMILES
CCC(=O)O[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C)CC
0 references
found in taxon
Xenorhabdus bovienii
1 reference
stated in
Biosynthesis of the insecticidal xenocyloins in Xenorhabdus bovienii.
Identifiers
InChI
InChI=1S/C18H23NO3/c1-4-12(3)18(21)16(22-17(20)5-2)10-13-11-19-15-9-7-6-8-14(13)15/h6-9,11-12,16,19H,4-5,10H2,1-3H3/t12-,16-/m0/s1
0 references
InChIKey
OIPFXMLUWNAVJK-LRDDRELGSA-N
2 references
stated in
PubChem
PubChem CID
139584239
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139584239
language of work or name
English
PubChem CID
139584239
1 reference
stated in
PubChem
PubChem CID
139584239
language of work or name
English
ChEBI ID
156370
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
170907729
1 reference
stated in
UniChem
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