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: beta-D-Glucopyranoside, 2-methoxy-4-[(1S,2S,3S)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl
Accession: CHEBI:182993
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Synonyms: exact_synonym: (2S,3R,4S,5S,6R)-2-[4-[(1S,2S,3S)-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-2,4-dihydro-1H-naphthalen-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
related_synonym: Formula=C26H34O12; InChI=1S/C26H34O12/c1-35-18-6-13-8-26(34,11-29)15(9-27)21(14(13)7-16(18)30)12-3-4-17(19(5-12)36-2)37-25-24(33)23(32)22(31)20(10-28)38-25/h3-7,15,20-25,27-34H,8-11H2,1-2H3/t15-,20-,21+,22-,23+,24-,25-,26-/m1/s1; InChIKey=CBHWSKLIWKFSRU-MNAFQOMLSA-N; SMILES=O[C@@]1([C@@H]([C@H](C=2C(C1)=CC(OC)=C(O)C2)C3=CC(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C3)CO)CO
xref: Chemspider:22914082
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19844
chemical entity
19842
group
19800
polyatomic entity
19799
molecule
19702
cyclic compound
19516
aromatic compound
19366
organic aromatic compound
19366
phenylpropanoid
11297
lignan
1705
beta-D-Glucopyranoside, 2-methoxy-4-[(1S,2S,3S)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl
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Path 2
CHEBI ontology
19844
subatomic particle
19842
composite particle
19842
hadron
19842
baryon
19842
nucleon
19809
atomic nucleus
19842
atom
19842
main group element atom
19792
p-block element atom
19792
carbon group element atom
19738
carbon atom
19734
organic molecular entity
19734
heteroorganic entity
19486
organochalcogen compound
19249
organooxygen compound
19167
carbohydrates and carbohydrate derivatives
15289
carbohydrate
15289
carbohydrate derivative
14279
glycosyl compound
13050
glycoside
11831
beta-D-Glucopyranoside, 2-methoxy-4-[(1S,2S,3S)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl
0