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: acetic acid (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl) ester
Accession: CHEBI:93891
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Definition: A triterpenoid that has formula C22H34O7.
Synonyms: related_synonym: Formula=C22H34O7; InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3; InChIKey=OHCQJHSOBUTRHG-UHFFFAOYSA-N; SMILES=CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
xref: LINCS:LSM-4467
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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chemical entity
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atom
499
nonmetal atom
492
carbon atom
480
organic molecular entity
480
isoprenoid
20
terpenoid
20
triterpenoid
2
acetic acid (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl) ester
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Path 2
CHEBI ontology
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subatomic particle
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composite particle
499
hadron
499
baryon
499
nucleon
499
atomic nucleus
499
atom
499
main group element atom
492
main group molecular entity
492
s-block molecular entity
437
hydrogen molecular entity
436
hydrides
365
organic hydride
71
organic fundamental parent
71
hydrocarbon
49
terpene
20
triterpene
2
triterpenoid
2
acetic acid (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl) ester
0