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CHEBI:190506 - 2α,7β-dihydroxytaxusin

ChEBI IDCHEBI:190506
ChEBI Name2α,7β-dihydroxytaxusin
Stars
ASCII Name2alpha,7beta-dihydroxytaxusin
DefinitionA taxane diterpenoid that is taxusin substituted by hydroxy groups at positions 2α and 7β.
Last Modified1 April 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC28H40O10
Net Charge0
Average Mass536.618
Monoisotopic Mass536.26215
SMILES[H][C@]12C[C@]([H])(OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H](O)C[C@H](OC(C)=O)C(=C)[C@@]3([H])[C@@H]1O)C2(C)C
InChIInChI=1S/C28H40O10/c1-12-20(36-15(4)30)11-21(33)28(9)22(12)24(34)18-10-19(35-14(3)29)13(2)23(27(18,7)8)25(37-16(5)31)26(28)38-17(6)32/h18-22,24-26,33-34H,1,10-11H2,2-9H3/t18-,19-,20-,21-,22-,24+,25+,26-,28+/m0/s1
InChIKeyVWTJGLYGEBYALH-LNLYLEBQSA-N
ChEBI Ontology
Outgoing Relation(s)
2α,7β-dihydroxytaxusin (CHEBI:190506) has functional parent taxusin (CHEBI:63664)
2α,7β-dihydroxytaxusin (CHEBI:190506) is a acetate ester (CHEBI:47622)
2α,7β-dihydroxytaxusin (CHEBI:190506) is a carbotricyclic compound (CHEBI:38032)
2α,7β-dihydroxytaxusin (CHEBI:190506) is a taxane diterpenoid (CHEBI:50367)
UniProt Name  Source
2α,7β-dihydroxytaxusinUniProt
Manual XrefsDatabases
CPD-14479MetaCyc
Citations