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: 4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione
Accession: CHEBI:206000
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Synonyms: related_synonym: Formula=C29H32O13; InChI=1S/C29H32O13/c1-11-7-14(42-27-23(40-6)22(39-5)21(38-4)12(2)41-27)8-13-9-15-19(20(31)18(11)13)26(34)28(35)17(30)10-16(37-3)25(33)29(28,36)24(15)32/h7-10,12,21-23,25,27,31,33,35-36H,1-6H3/t12-,21-,22+,23+,25?,27+,28?,29?/m1/s1; InChIKey=YJAVYCWOHQXQFR-BDEZBQFBSA-N; SMILES=O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@@H]4OC)OC)C)=CC3C)C=C2C(=O)C5(C1(O)C(=O)C=C(OC)C5O)O
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
26046
chemical entity
26025
group
25888
inorganic group
24581
oxo group
23578
organic oxo compound
23578
carbonyl compound
23578
ketone
19360
cyclic ketone
16850
quinone
9219
4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione
0
Path 2
CHEBI ontology
26046
subatomic particle
26021
composite particle
26021
hadron
26021
baryon
26021
nucleon
26021
atomic nucleus
26021
atom
26021
main group element atom
25846
p-block element atom
25846
carbon group element atom
25443
carbon atom
25401
organic molecular entity
25401
heteroorganic entity
24779
organochalcogen compound
24391
organooxygen compound
24069
carbonyl compound
23578
ketone
19360
cyclic ketone
16850
quinone
9219
4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione
0