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(Q75054987)
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English
16-deoxo-paraherquamide J
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4,4,5',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
1 reference
based on heuristic
inferred from SMILES
mass
477.2627566
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₅N₃O₄
0 references
canonical SMILES
CC1CN2CC34CC5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)C3CC2(C1)C(=O)N4C
0 references
isomeric SMILES
C[C@H]1CN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)N4C
0 references
found in taxon
Aspergillus duricaulis
1 reference
stated in
Spiroindole Alkaloids and Spiroditerpenoids from Aspergillus duricaulis and Their Potential Neuroprotective Effects
Identifiers
InChI
InChI=1S/C28H35N3O4/c1-16-11-26-12-19-25(4,5)28(14-27(19,15-31(26)13-16)30(6)23(26)33)17-7-8-18-21(20(17)29-22(28)32)34-10-9-24(2,3)35-18/h7-10,16,19H,11-15H2,1-6H3,(H,29,32)/t16-,19+,26+,27-,28-/m1/s1
0 references
InChIKey
UCHMXMCBFDOYNC-HTEKFMMOSA-N
0 references
PubChem CID
127037732
1 reference
stated in
PubChem
PubChem CID
127037732
language of work or name
English
ChEBI ID
197739
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H35N3O4/c1-16-11-26-12-19-25(4,5)28(14-27(19,15-31(26)13-16)30(6)23(26)33)17-7-8-18-21(20(17)29-22(28)32)34-10-9-24(2,3)35-18/h7-10,16,19H,11-15H2,1-6H3,(H,29,32)/t16-,19+,26+,27-,28-/m1/s1
UniChem compound ID
156213942
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000229
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UCHMXMCBFDOYNC-HTEKFMMOSA-N
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