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(Q77573987)
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Emericellolide B
bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
0 references
macrolides
0 references
farnesane sesquiterpenoid
0 references
mass
559.278131892
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₁NO₉
0 references
canonical SMILES
O=C(OC)CCC1C(=O)OC(CCC(=CCCC(=CCOC=2C(O)=C3C(=CC2OC)C(=O)N1C3)C)C)C(O)(C)C
0 references
isomeric SMILES
COC(=O)CC[C@H]1C(=O)O[C@@H](C(C)(C)O)CCC(C)=CCCC(C)=CCOc2c(OC)cc3c(c2O)CN1C3=O
0 references
found in taxon
Aspergillus nidulans
1 reference
stated in
Isoindolone-Containing Meroperpenoids from the Endophytic Fungus Emericella nidulans HDN12-249.
Emericella nidulans
1 reference
stated in
Isoindolone-Containing Meroperpenoids from the Endophytic Fungus Emericella nidulans HDN12-249.
Identifiers
InChI
InChI=1S/C30H41NO9/c1-18-8-7-9-19(2)14-15-39-27-23(37-5)16-20-21(26(27)33)17-31(28(20)34)22(11-13-25(32)38-6)29(35)40-24(12-10-18)30(3,4)36/h8,14,16,22,24,33,36H,7,9-13,15,17H2,1-6H3/t22-,24+/m0/s1
0 references
InChIKey
LDZGZEKGHAEAHM-LADGPHEKSA-N
2 references
stated in
PubChem
PubChem CID
139587785
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587785
language of work or name
English
PubChem CID
139587785
2 references
stated in
PubChem
PubChem CID
139587785
language of work or name
English
matched by identifier from
InChIKey
InChIKey
LDZGZEKGHAEAHM-LADGPHEKSA-N
ChEBI ID
224485
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H41NO9/c1-18-8-7-9-19(2)14-15-39-27-23(37-5)16-20-21(26(27)33)17-31(28(20)34)22(11-13-25(32)38-6)29(35)40-24(12-10-18)30(3,4)36/h8,14,16,22,24,33,36H,7,9-13,15,17H2,1-6H3/t22-,24+/m0/s1
UniChem compound ID
170910877
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016843
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LDZGZEKGHAEAHM-LADGPHEKSA-N
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