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CHEBI:219892 - Rhizoxin D3

ChEBI IDCHEBI:219892
ChEBI NameRhizoxin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H47NO8
Net Charge0
Average Mass597.749
Monoisotopic Mass597.33017
SMILESCC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)/C(C)=C/C=C/[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C/C(=O)O1)=C\c1coc(C)n1
InChIInChI=1S/C34H47NO8/c1-21(16-28-20-42-26(6)35-28)10-7-13-24(4)34(41)25(5)31-19-30(37)23(3)12-8-11-22(2)29(36)17-27(18-32(38)39)14-9-15-33(40)43-31/h7-13,15-16,20,22,25,27,29-31,34,36-37,41H,14,17-19H2,1-6H3,(H,38,39)/b10-7+,11-8+,15-9+,21-16+,23-12+,24-13+/t22-,25+,27-,29-,30+,31+,34+/m1/s1
InChIKeyRUSPDHDYUAUHKZ-BDDPWWGKSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica (ncbitaxon:412963) - PubMed (16939276)
ChEBI Ontology
Outgoing Relation(s)
Rhizoxin D3 (CHEBI:219892) is a terpene lactone (CHEBI:37668)
IUPAC Name 
2-[(3E,6R,8R,9R,10E,12E,14S,16S)-8,14-dihydroxy-16-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-9,13-dimethyl-2-oxo-1-oxacyclohexadeca-3,10,12-trien-6-yl]acetic acid
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17244492ChemSpider