CHEBI:205179 - Cytochalasin Z11

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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 Z11
ChEBI ID CHEBI:205179
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H33NO5
Net Charge 0
Average Mass 427.541
Monoisotopic Mass 427.23587
InChI InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14-15,17,19-21,23,27,29,31H,3,9,13H2,1-2,4H3,(H,26,30)/b12-8+/t14-,15+,17-,19-,20-,21-,23+,25+/m0/s1
InChIKey XKLGDBFKKUIZTH-UPQYTXQESA-N
SMILES O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(O)[C@@H](/C=C/C[C@@H](C(=O)[C@@H](O)C)C)[C@H](O)C(=C)[C@H]3C
Metabolite of Species Details
Mariannaea elegans (NCBI:txid509241) See: PubMed
ChEBI Ontology
Outgoing Cytochalasin Z11 (CHEBI:205179) is a isoindoles (CHEBI:24897)
IUPAC Name
(3S,3aS,4S,6S,7S,7aS)-3-benzyl-6,7a-dihydroxy-7-[(E,4S,6S)-6-hydroxy-4-methyl-5-oxohept-1-enyl]-4-methyl-5-methylidene-2,3,3a,4,6,7-hexahydroisoindol-1-one
Manual Xref Database
23329981 ChemSpider
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