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: (3S,3'S,4S,4'S)-3,3'-Dimethyl-7,7',9,9'-tetramethoxy-3,3',4,4'-tetrahydro-5,6'-bi(1H-naphtho[2,3-c]pyran)-4,4',10,10'-tetrol
Accession: CHEBI:199012
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Synonyms: exact_synonym: (3S,4S)-6-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
related_synonym: Formula=C32H34O10; InChI=1S/C32H34O10/c1-13-29(33)16-9-18-24(22(39-5)10-23(40-6)26(18)31(35)19(16)11-41-13)27-17-7-15(37-3)8-21(38-4)25(17)32(36)20-12-42-14(2)30(34)28(20)27/h7-10,13-14,29-30,33-36H,11-12H2,1-6H3/t13-,14-,29+,30+/m0/s1; InChIKey=WRSWUZPYBGDARY-CUAUGLLKSA-N; SMILES=O1[C@H]([C@@H](O)C2=C(C3=C(OC)C=C(OC)C=4C3=CC=5[C@H](O)[C@H](C)OCC5C4O)C6=CC(OC)=CC(=C6C(=C2C1)O)OC)C
xref: Chemspider:8850070
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19841
chemical entity
19839
group
19798
polyatomic entity
19797
molecule
19701
cyclic compound
19516
organic cyclic compound
19498
organic aromatic compound
19367
phenylpropanoid
11281
lignan
1702
(3S,3'S,4S,4'S)-3,3'-Dimethyl-7,7',9,9'-tetramethoxy-3,3',4,4'-tetrahydro-5,6'-bi(1H-naphtho[2,3-c]pyran)-4,4',10,10'-tetrol
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Path 2
CHEBI ontology
19841
subatomic particle
19839
composite particle
19839
hadron
19839
baryon
19839
nucleon
19839
atomic nucleus
19839
atom
19839
main group element atom
19789
p-block element atom
19789
p-block molecular entity
19789
carbon group molecular entity
19737
organic molecular entity
19733
organic molecule
19686
organic cyclic compound
19498
organic aromatic compound
19367
phenylpropanoid
11281
lignan
1702
(3S,3'S,4S,4'S)-3,3'-Dimethyl-7,7',9,9'-tetramethoxy-3,3',4,4'-tetrahydro-5,6'-bi(1H-naphtho[2,3-c]pyran)-4,4',10,10'-tetrol
0