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: [6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate
Accession: CHEBI:181834
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Synonyms: exact_synonym: [6-(uran-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate
related_synonym: Formula=C31H40O12; InChI=1S/C31H40O12/c1-5-13(2)23(36)41-18-9-17(33)30-15-8-16(32)28(12-40-25(30)42-24(37)26(15,18)3)21(30)20(34)22(35)27(4)29(38,14-6-7-39-11-14)10-19-31(27,28)43-19/h6-7,11,13,15-19,21-22,24-25,32-33,35,37-38H,5,8-10,12H2,1-4H3; InChIKey=GSAWBDXYMSQMRT-UHFFFAOYSA-N; SMILES=O1C23C45C(C67C(CC4O)C(C(OC(=O)C(CC)C)CC6O)(C(OC7OC5)O)C)C(=O)C(O)C2(C(O)(CC13)C=8C=COC8)C
xref: Chemspider:22370249
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19831
chemical entity
19829
atom
19829
nonmetal atom
19767
carbon atom
19724
organic molecular entity
19724
isoprenoid
14029
terpenoid
13728
triterpenoid
871
limonoid
149
[6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate
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Path 2
CHEBI ontology
19831
subatomic particle
19829
composite particle
19829
hadron
19829
baryon
19829
nucleon
19829
atomic nucleus
19829
atom
19829
main group element atom
19779
main group molecular entity
19779
s-block molecular entity
19617
hydrogen molecular entity
19604
hydrides
19102
organic hydride
18674
organic fundamental parent
18674
hydrocarbon
18410
terpene
14029
triterpene
875
triterpenoid
871
limonoid
149
[6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.01,10.02,4.02,7.011,18.015,23]tricosan-14-yl] 2-methylbutanoate
0