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: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-(3-carboxy-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Accession: CHEBI:94543
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Definition: A triterpenoid that has formula C34H50O7.
Synonyms: related_synonym: Formula=C34H50O7; InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23+,24+,27-,30-,31+,32+,33-,34-/m1/s1; InChIKey=OBZHEBDUNPOCJG-LTMGWWHLSA-N; SMILES=C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O
xref: LINCS:LSM-5378
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22194
role
22179
application
21760
pharmaceutical
21174
drug
21174
anti-ulcer drug
1185
succinic acid
656
succinate ester
124
hemisuccinate
120
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-(3-carboxy-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
0
Path 2
CHEBI ontology
22194
subatomic particle
22186
composite particle
22186
hadron
22186
baryon
22186
nucleon
22186
atomic nucleus
22186
atom
22186
main group element atom
22120
p-block element atom
22120
carbon group element atom
21920
carbon atom
21846
organic molecular entity
21846
heteroorganic entity
21500
organochalcogen compound
20983
organooxygen compound
20824
carbonyl compound
20188
dicarboxylic acids and O-substituted derivatives
11367
dicarboxylic acid
11361
alpha,omega-dicarboxylic acid
3152
succinic acid
656
succinate ester
124
hemisuccinate
120
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-(3-carboxy-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
0