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(Q104399241)
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Elemacarmanin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[5-Ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 2-(hydroxymethyl)prop-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
380.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₇
0 references
canonical SMILES
O=C(OC)C(=C)C1C(O)C(C(=C)CO)C(C=C)(C)CC1OC(=O)C(=C)CO
0 references
isomeric SMILES
C=C[C@]1(C)C[C@H](OC(=O)C(=C)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO
0 references
found in taxon
Centaurea aspera
1 reference
stated in
Sesquiterpenes from Centaurea aspera
Onopordum acaulon
2 references
stated in
Sesquiterpenes, flavonoids and lignans from Onopordon acaulon
stated in
Eudesmane and elemane derivatives from Onopordon acaulon
Cheirolophus intybaceus
1 reference
stated in
Sesquiterpene lactones, lignans and aromatic esters from Cheirolophus species
Centaurea achaia
1 reference
stated in
Sesquiterpene Lactones from Centaurea achaia, a Greek Endemic Species: Antifungal Activity
Cheirolophus uliginosus
1 reference
stated in
Sesquiterpene lactones, lignans and aromatic esters from Cheirolophus species
Onopordum carmanicum
1 reference
stated in
Sesquiterpene lactones and eudesmane derivatives from Onopordon carmanicum
Onopordum corymbosum
1 reference
stated in
Sesquiterpene lactones and an elemane derivative from Onopordon corymbosum
Onopordum boissierianum
1 reference
stated in
Sesquiterpene lactones from Onopordon laconicum and O. sibthorpianum
Onopordum illyricum
1 reference
stated in
New metabolites from onopordum illyricum
Identifiers
InChI
InChI=1S/C20H28O7/c1-7-20(5)8-14(27-18(24)12(3)10-22)15(13(4)19(25)26-6)17(23)16(20)11(2)9-21/h7,14-17,21-23H,1-4,8-10H2,5-6H3/t14-,15+,16+,17-,20+/m0/s1
0 references
InChIKey
HHUHNVIGEYMOJY-HAJKQMQPSA-N
0 references
PubChem CID
13891365
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97262807
1 reference
stated in
UniChem
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