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CHEBI:226182 - Cytochalasin D1

ChEBI IDCHEBI:226182
ChEBI NameCytochalasin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39NO9
Net Charge0
Average Mass557.640
Monoisotopic Mass557.26248
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23[C@@H]([C@@H]2O[C@H]([C@H]3OC(C)=O)[C@@H](O)[C@@](C)(O)C(=O)[C@@H](C)C[C@H]2O)[C@@H]1O
InChIInChI=1S/C30H39NO9/c1-13-11-19(33)23-21-22(34)15(3)14(2)20-18(12-17-9-7-6-8-10-17)31-28(37)30(20,21)27(39-16(4)32)24(40-23)26(36)29(5,38)25(13)35/h6-10,13-14,18-24,26-27,33-34,36,38H,3,11-12H2,1-2,4-5H3,(H,31,37)/t13-,14+,18-,19+,20-,21+,22+,23+,24-,26+,27+,29-,30+/m0/s1
InChIKeyGMDOXJQCROTLBS-GTMPZFLVSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tetlet.2019.150952)
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin D1 (CHEBI:226182) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1S,2R,3S,5S,6R,7S,10R,11S,12S,13R,14R,16S,18R)-7-benzyl-3,13,14,18-tetrahydroxy-5,14,16-trimethyl-4-methylidene-9,15-dioxo-19-oxa-8-azatetracyclo[10.6.1.02,10.06,10]nonadecan-11-yl] acetate