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(Q77281414)
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English
Xyloallenolide A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[4-(buta-2,3-dien-1-yloxy)phenyl]-N-(2-hydroxy-6-isopropyl-3,4,7-trimethyl-5,8-dioxo-1,4,7-triazacyclotridec-1-en-9-yl)prop-2-enimidic acid
1 reference
based on heuristic
inferred from SMILES
mass
524.29987038
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₀N₄O₅
0 references
canonical SMILES
C=C=CCOc1ccc(C=CC(=O)NC2CCCCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C2=O)cc1
0 references
isomeric SMILES
C=C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C2=O)cc1
0 references
found in taxon
Xylaria
1 reference
stated in
A novel N-cinnamoylcyclopeptide containing an allenic ether from the fungus Xylaria sp. (strain #2508) from the South China Sea
Identifiers
InChI
InChI=1S/C29H40N4O5/c1-7-8-19-38-23-15-12-22(13-16-23)14-17-25(34)31-24-11-9-10-18-30-27(35)21(4)32(5)29(37)26(20(2)3)33(6)28(24)36/h8,12-17,20-21,24,26H,1,9-11,18-19H2,2-6H3,(H,30,35)(H,31,34)/b17-14+/t21-,24+,26-/m0/s1
0 references
InChIKey
KZGBTBDGCRRWLS-VCCDKZDWSA-N
2 references
stated in
PubChem
PubChem CID
15516257
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
15516257
language of work or name
English
PubChem CID
15516257
1 reference
stated in
PubChem
PubChem CID
15516257
language of work or name
English
ChEBI ID
201151
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H40N4O5/c1-7-8-19-38-23-15-12-22(13-16-23)14-17-25(34)31-24-11-9-10-18-30-27(35)21(4)32(5)29(37)26(20(2)3)33(6)28(24)36/h8,12-17,20-21,24,26H,1,9-11,18-19H2,2-6H3,(H,30,35)(H,31,34)/b17-14+/t21-,24+,26-/m0/s1
UniChem compound ID
59926328
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004174
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KZGBTBDGCRRWLS-VCCDKZDWSA-N
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