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: (4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
Accession: CHEBI:181835
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Synonyms: exact_synonym: (4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-2-one
related_synonym: Formula=C15H22O3; InChI=1S/C15H22O3/c1-9-5-4-6-11-7-15(17)12(8-14(9,11)3)10(2)13(16)18-15/h9,11,17H,4-8H2,1-3H3/t9-,11-,14+,15+/m0/s1; InChIKey=QKYLNUXCPSRUNA-YZENIEGJSA-N; SMILES=O1[C@]2(O)C[C@]3([C@@]([C@H](CCC3)C)(CC2=C(C1=O)C)C)[H]
xref: Chemspider:22912858
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22308
chemical entity
22307
atom
22302
nonmetal atom
22132
carbon atom
21924
organic molecular entity
21924
isoprenoid
14780
terpenoid
14475
terpene lactone
2191
(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
0
Path 2
CHEBI ontology
22308
subatomic particle
22302
composite particle
22302
hadron
22302
baryon
22302
nucleon
22302
atomic nucleus
22302
atom
22302
main group element atom
22183
p-block element atom
22183
carbon group element atom
21985
carbon atom
21924
organic molecular entity
21924
heteroorganic entity
21563
organochalcogen compound
21057
organooxygen compound
20905
ester
18434
carboxylic ester
17416
lactone
13772
terpene lactone
2191
(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
0