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CHEBI:228988 - 2'-Hyddroxytaxine II

ChEBI IDCHEBI:228988
ChEBI Name2'-Hyddroxytaxine II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49NO10
Net Charge0
Average Mass667.796
Monoisotopic Mass667.33565
SMILES[H][C@@]12C(=C)[C@@H](OC(=O)[C@H](O)C(c3ccccc3)N(C)C)CC[C@@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C1=C(C)C(=O)CC([C@H]2OC(C)=O)C1(C)C
InChIInChI=1S/C37H49NO10/c1-19-26(42)18-25-32(45-21(3)39)29-20(2)27(48-35(44)31(43)30(38(9)10)24-14-12-11-13-15-24)16-17-37(29,8)34(47-23(5)41)33(46-22(4)40)28(19)36(25,6)7/h11-15,25,27,29-34,43H,2,16-18H2,1,3-10H3/t25?,27-,29-,30?,31+,32+,33+,34-,37+/m0/s1
InChIKeyVOMHMJTXSVWBOE-DVSVTKLKSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
2'-Hyddroxytaxine II (CHEBI:228988) is a taxane diterpenoid (CHEBI:50367)
IUPAC Name 
[(2R,3R,5S,8R,9R,10R)-2,9,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
Manual XrefsDatabases
4476738ChemSpider