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: (7S*,16S*,18S*,19R*)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione
Accession: CHEBI:199180
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Synonyms: exact_synonym: [(1S,4R,5R,7R,9E,11S,12R,14R,15S,16R)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadec-9-en-4-yl] (6E,8E)-4-methylhexadeca-6,8-dienoate
related_synonym: Formula=C45H65NO6; InChI=1S/C45H65NO6/c1-7-8-9-10-11-12-13-14-15-17-21-31(2)26-27-40(48)52-39-29-38(47)45-36(25-20-22-32(3)30-44(39,6)51)42(49)34(5)33(4)41(45)37(46-43(45)50)28-35-23-18-16-19-24-35/h13-20,23-25,31-33,36-37,39,41-42,49,51H,5,7-12,21-22,26-30H2,1-4,6H3,(H,46,50)/b14-13+,17-15+,25-20+/t31?,32-,33+,36-,37-,39-,41-,42+,44-,45+/m1/s1; InChIKey=NFDUYCJMCKGNSR-QJEWFHDLSA-N; SMILES=O=C1[C@]23C(=O)N[C@@H]([C@H]2[C@@H](C)C([C@@H]([C@H]3C=CC[C@H](C[C@]([C@@H](C1)OC(=O)CCC(C/C=C/C=C/CCCCCCC)C)(O)C)C)O)=C)CC4=CC=CC=C4
xref: Chemspider:78436467
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
20856
chemical entity
20854
atom
20854
nonmetal atom
20762
nitrogen atom
19594
nitrogen molecular entity
19594
organonitrogen compound
19401
organonitrogen heterocyclic compound
18546
benzopyrrole
9833
isoindoles
1158
(7S*,16S*,18S*,19R*)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione
0
Path 2
CHEBI ontology
20856
subatomic particle
20854
composite particle
20854
hadron
20854
baryon
20854
nucleon
20854
atomic nucleus
20854
atom
20854
main group element atom
20777
p-block element atom
20777
carbon group element atom
20710
carbon atom
20704
organic molecular entity
20704
organic molecule
20649
organic cyclic compound
20400
organic heterocyclic compound
19383
organic heteropolycyclic compound
18642
organic heterobicyclic compound
17527
benzopyrrole
9833
isoindoles
1158
(7S*,16S*,18S*,19R*)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione
0