Send us a Message

Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   


The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

go back to main search page
Accession:CHEBI:132640 term browser browse the term
Definition:A diterpene alkaloid with formula C35H49NO11 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 8-(acetyloxy)-20-ethyl-3alpha,13-dihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl 4-methoxybenzoate
 related_synonym: (1alpha,3alpha,6alpha,14alpha,16beta)-8-(acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate;   3-alpha,13-Dihydroxyforesaconitine;   Formula=C35H49NO11;   Guayewuanine B;   InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1;   InChIKey=LLEMSCWAKNQHHA-SQJQOUDQSA-N;   Isoaconitine;   SMILES=[C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)(O)[C@@H]6OC(C7=CC=C(C=C7)OC)=O)[H])[H])OC(C)=O)[H])CC)(COC)[C@@H](C[C@@H]3OC)O)[H];   Vilmorrianine B
 xref: CAS:70578-24-4;   CBA:335013;   KNApSAcK:C00029255;   PMID:16755043;   PMID:16959134;   PMID:17432903;   PMID:17555909;   PMID:19021167;   PMID:19894536;   PMID:21061219;   PMID:21417277;   PMID:22430312;   PMID:22841113;   PMID:23450658;   PMID:23784883;   PMID:23785992;   PMID:24216273;   PMID:24380280;   PMID:25470962;   PMID:25508589;   PMID:26481590;   PMID:26767293;   Reaxys:5208037;   Reaxys:5719764;   Reaxys:9376610

show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      biological role 19732
        xenobiotic 18425
          yunaconitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic acid 18215
                                        aromatic carboxylic acid 11303
                                          benzoic acids 11274
                                            benzoate ester 5036
                                              yunaconitine 0
paths to the root