CHEBI:218843 - Cytochalasin J2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cytochalasin J2
ChEBI ID CHEBI:218843
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H35NO3
Net Charge 0
Average Mass 433.592
Monoisotopic Mass 433.26169
InChI InChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-15,17,19,22-26,30-31H,4,9,16H2,1-3H3,(H,29,32)/b12-8+,14-13+,18-15-/t17-,19+,22-,23-,24+,25-,26+,28+/m0/s1
InChIKey CZABEFNJKKLRKT-ZCTQIHNESA-N
SMILES O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](O)C=CC(=C[C@H](CC=C[C@H]4[C@H](O)C(=C)[C@H]3C)C)C
Metabolite of Species Details
Phomopsis (NCBI:txid34399) See: PubMed
ChEBI Ontology
Outgoing Cytochalasin J2 (CHEBI:218843) is a isoindoles (CHEBI:24897)
IUPAC Name
(1R,2R,3E,5Z,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,5,9-trien-18-one
Manual Xref Database
78440620 ChemSpider
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