CHEBI:204802 - (11)-Cytochalasa-6,13,19-triene-1,21-dione-17-hydroxy-16,18-dimethyl-10-phenyl-(6Z, 13E,16S*,17R*,18S*,19E)

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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 (11)-Cytochalasa-6,13,19-triene-1,21-dione-17-hydroxy-16,18-dimethyl-10-phenyl-(6Z, 13E,16S*,17R*,18S*,19E)
ChEBI ID CHEBI:204802
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/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25-26,31H,9,16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20+,22-,23-,25-,26+,28+/m1/s1
InChIKey OCBTZMPHBHPALF-FUSSMGBGSA-N
SMILES O=C1C=C[C@H]([C@@H](O)[C@H](C)CC=C[C@H]2[C@]13C(=O)N[C@@H]([C@H]3[C@@H](C)C(=C2)C)CC4=CC=CC=C4)C
Metabolite of Species Details
Daldiniaspecies (NCBI:txid1769485) See: DOI
ChEBI Ontology
Outgoing (11)-Cytochalasa-6,13,19-triene-1,21-dione-17-hydroxy-16,18-dimethyl-10-phenyl-(6Z, 13E,16S*,17R*,18S*,19E) (CHEBI:204802) is a isoindoles (CHEBI:24897)
IUPAC Name
(1R,3E,5R,6S,7R,9E,11R,14R,15S,16R)-16-benzyl-6-hydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione
Manual Xref Database
78437195 ChemSpider
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