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(Q77517904)
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English
Gerronemin E
bioactive natural product
In more languages
default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
410.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₄O₄
0 references
canonical SMILES
OC1=CC=CC(=C1O)CCC=CCC=CCCCCCCCC=2C=CC=C(O)C2O
0 references
isomeric SMILES
C1=CC(=C(C(=C1)O)O)CCCCCCC/C=C\C/C=C\CCC2=C(C(=CC=C2)O)O
0 references
found in taxon
Gerronema
1 reference
stated in
Gerronemins A-F, cytotoxic biscatechols from a Gerronema species
Identifiers
InChI
InChI=1S/C26H34O4/c27-23-19-13-17-21(25(23)29)15-11-9-7-5-3-1-2-4-6-8-10-12-16-22-18-14-20-24(28)26(22)30/h1,3,7,9,13-14,17-20,27-30H,2,4-6,8,10-12,15-16H2/b3-1-,9-7-
0 references
InChIKey
GRNMSFHYESOOJH-QGXVWARISA-N
2 references
stated in
PubChem
PubChem CID
5317578
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
5317578
language of work or name
English
PubChem CID
5317578
2 references
stated in
PubChem
PubChem CID
5317578
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GRNMSFHYESOOJH-QGXVWARISA-N
ChEBI ID
208821
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H34O4/c27-23-19-13-17-21(25(23)29)15-11-9-7-5-3-1-2-4-6-8-10-12-16-22-18-14-20-24(28)26(22)30/h1,3,7,9,13-14,17-20,27-30H,2,4-6,8,10-12,15-16H2/b3-1-,9-7-
UniChem compound ID
34147315
1 reference
stated in
UniChem
KNApSAcK ID
C00037181
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GRNMSFHYESOOJH-QGXVWARISA-N
Natural Product Atlas ID
NPA013859
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GRNMSFHYESOOJH-QGXVWARISA-N
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