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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:rhizathalene A
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Accession:CHEBI:138656 term browser browse the term
Definition:A carbotricyclic compound and diterpene that is 1',2',3',3a',5',6',7',7a'-octahydrospiro[cyclohex-3-ene-1,4'-indene] which is substituted by methyl groups at the 4, 5', and 7a' positions, and by an isopropenyl group at the 3' position. It is produced in the stele of Arabidopsis roots and contributes to the direct defense against root herbivores.
Synonyms:exact_synonym: (1S,3'S,3a'S,5'R,7a'S)-4,5',7a'-trimethyl-3'-(prop-1-en-2-yl)-1',2',3',3a',5',6',7',7a'-octahydrospiro[cyclohex-3-ene-1,4'-indene]
 related_synonym: Formula=C20H32;   InChI=1S/C20H32/c1-14(2)17-9-11-19(5)10-8-16(4)20(18(17)19)12-6-15(3)7-13-20/h6,16-18H,1,7-13H2,2-5H3/t16-,17-,18+,19+,20-/m1/s1;   InChIKey=IIMQNFIZNZKEMW-SWBPCFCJSA-N;   SMILES=[C@H]1(CC[C@@]2([C@@]([C@@]13CC=C(CC3)C)([C@H](CC2)C(C)=C)[H])C)C
 xref: PMID:23512856;   PMID:27933080


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Term Annotations click to browse term
  CHEBI ontology 19810
    chemical entity 19810
      molecular entity 19808
        polyatomic entity 19721
          molecule 19545
            cyclic compound 19349
              polycyclic compound 18536
                spiro compound 1300
                  rhizathalene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            organic hydride 18265
                              organic fundamental parent 18265
                                hydrocarbon 17986
                                  terpene 9609
                                    diterpene 8430
                                      rhizathalene A 0
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