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: (3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al
Accession: CHEBI:176151
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Synonyms: exact_synonym: [9-ormyl-3,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate
related_synonym: Formula=C35H54O7; InChI=1S/C35H54O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,18,22-28,37-40H,11-17,19H2,1-8H3/b20-9+; InChIKey=IQYIDEWXVLGTDZ-AWQFTUOYSA-N; SMILES=OC1C2(C(C=3C(C4(C(C5(C(CC4)C(C(O)CC5)(C)C=O)C)CC3)C)(C1)C)CC(C(O)C2OC(=O)/C(/C)=C/C)(C)C)CO
xref: Chemspider:35013499; HMDB:HMDB0032832
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19832
chemical entity
19830
atom
19830
nonmetal atom
19768
carbon atom
19725
organic molecular entity
19725
isoprenoid
14030
terpenoid
13728
triterpenoid
871
(3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al
0
Path 2
CHEBI ontology
19832
subatomic particle
19830
composite particle
19830
hadron
19830
baryon
19830
nucleon
19830
atomic nucleus
19830
atom
19830
main group element atom
19780
main group molecular entity
19780
s-block molecular entity
19618
hydrogen molecular entity
19605
hydrides
19104
organic hydride
18677
organic fundamental parent
18677
hydrocarbon
18413
terpene
14030
triterpene
875
triterpenoid
871
(3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al
0