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: (+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone
Accession: CHEBI:70554
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Definition: An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Synonyms: exact_synonym: (4aR,5aS,6S,6aS,10aR)-7,7-dimethyl-3-(propan-2-yl)-6,6a,7,8,9,10-hexahydro-2H,5aH-6,10a-(epoxymethano)phenanthro[8a,9-b]oxirene-2,11-dione
related_synonym: Formula=C20H24O4; InChI=1S/C20H24O4/c1-10(2)11-9-20-13(8-12(11)21)19-7-5-6-18(3,4)15(19)14(16(20)24-20)23-17(19)22/h8-10,14-16H,5-7H2,1-4H3/t14-,15-,16-,19-,20+/m0/s1; InChIKey=CMURQFGSNXTIKZ-IEYYFSCXSA-N; SMILES=CC(C)C1=C[C@]23O[C@H]2[C@H]2OC(=O)[C@@]4(CCCC(C)(C)[C@H]24)C3=CC1=O
xref: PMID:20961093; Reaxys:21097459
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
5052
chemical entity
5080
molecular entity
5051
main group molecular entity
5012
gas molecular entity
4498
oxirane
4282
epoxide
4302
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone
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Path 2
CHEBI ontology
5052
subatomic particle
5043
composite particle
5043
hadron
5071
baryon
5043
nucleon
5043
atomic nucleus
5043
atom
5043
main group element atom
5013
p-block element atom
5010
carbon group element atom
4927
carbon atom
4954
organic molecular entity
4926
heteroorganic entity
4768
organochalcogen compound
4730
organooxygen compound
4692
carbonyl compound
4643
ketone
4347
cyclic ketone
4333
alicyclic ketone
4
cyclic terpene ketone
0
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone
0