CHEBI:225212 - Cytochalasin Z(22)

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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 Z(22)
ChEBI ID CHEBI:225212
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H33NO6
Net Charge 0
Average Mass 479.573
Monoisotopic Mass 479.23079
InChI InChI=1S/C28H33NO6/c1-16-9-8-12-19-24-27(4,35-24)17(2)22-20(15-18-10-6-5-7-11-18)29-25(32)28(19,22)34-21(30)13-14-26(3,33)23(16)31/h5-8,10-14,16-17,19-20,22,24,33H,9,15H2,1-4H3,(H,29,32)/b12-8-,14-13-/t16-,17-,19-,20-,22-,24-,26+,27+,28-/m0/s1
InChIKey DTAVTQJLWLBHID-LUYIHMGQSA-N
SMILES O=C1O[C@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3C=CC[C@@H](C([C@@](C=C1)(O)C)=O)C)O4)C)CC5=CC=CC=C5
ChEBI Ontology
Outgoing Cytochalasin Z(22) (CHEBI:225212) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,4Z,6R,8S,10Z,12S,13S,15R,16S,17S,18S)-18-benzyl-6-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icosa-4,10-diene-3,7,20-trione
Manual Xref Database
78441424 ChemSpider
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