CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: (1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
Accession: CHEBI:69331
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Definition: A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
Synonyms: exact_synonym: (3aR,4S,4aR,7S,7aS,8R,9aS)-7-methoxy-4a,8-dimethyl-3-methylidene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate
related_synonym: Formula=C18H24O6; InChI=1S/C18H24O6/c1-8-6-11-14(9(2)17(21)24-11)16(23-10(3)19)18(4)13(20)7-12(22-5)15(8)18/h8,11-12,14-16H,2,6-7H2,1,3-5H3/t8-,11+,12+,14-,15-,16+,18-/m1/s1; InChIKey=IVGBVLQEASLHGO-PIALLGAOSA-N; SMILES=CO[C@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O
xref: PMID:21894898; Reaxys:21902561
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
26034
role
25961
application
25172
anti-inflammatory agent
17787
(1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
0
Path 2
CHEBI ontology
26034
subatomic particle
26009
composite particle
26009
hadron
26020
baryon
26009
nucleon
26009
atomic nucleus
26009
atom
26009
main group element atom
25834
p-block element atom
25834
carbon group element atom
25434
carbon atom
25403
organic molecular entity
25392
heteroorganic entity
24766
organochalcogen compound
24378
organooxygen compound
24054
ester
18739
carboxylic ester
17819
lactone
12949
terpene lactone
2244
sesquiterpene lactone
2097
pseudoguaianolide
0
(1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
0