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CHEBI:204020 - Rhizoxin Z2

ChEBI IDCHEBI:204020
ChEBI NameRhizoxin Z2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H51NO9
Net Charge0
Average Mass641.802
Monoisotopic Mass641.35638
SMILESCOC(=O)C[C@@H]1C/C=C/C(=O)O[C@H]([C@H](C)[C@@H](OC)/C(C)=C/C=C/C(C)=C\c2coc(C)n2)C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1
InChIInChI=1S/C36H51NO9/c1-22(17-28-21-44-26(5)37-28)11-9-12-24(3)35(43-8)25(4)30-20-31(39)36(6)32(46-36)16-15-23(2)29(38)18-27(19-34(41)42-7)13-10-14-33(40)45-30/h9-12,14-17,21,23,25,27,29-32,35,38-39H,13,18-20H2,1-8H3/b11-9+,14-10+,16-15+,22-17-,24-12+/t23-,25+,27-,29-,30+,31+,32-,35+,36-/m1/s1
InChIKeyJYLNHIJYZROVQX-LNHXRTHGSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica (ncbitaxon:412963) - PubMed (16939276)
ChEBI Ontology
Outgoing Relation(s)
Rhizoxin Z2 (CHEBI:204020) is a terpene lactone (CHEBI:37668)
IUPAC Name 
methyl 2-[(1R,2S,4S,7E,10R,12R,13R,14E,16R)-2,12-dihydroxy-4-[(2S,3R,4E,6E,8Z)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate
Manual XrefsDatabases
78437085ChemSpider