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CHEBI:210295 - 21-hydroxyterpestacin

ChEBI IDCHEBI:210295
ChEBI Name21-hydroxyterpestacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O5
Net Charge0
Average Mass418.574
Monoisotopic Mass418.27192
SMILESC/C1=C\C[C@]2(C)C(=O)C(O)=C([C@H](C)CO)[C@H]2C/C=C(\C)[C@@H](O)CC/C(CO)=C\CC1
InChIInChI=1S/C25H38O5/c1-16-6-5-7-19(15-27)9-11-21(28)17(2)8-10-20-22(18(3)14-26)23(29)24(30)25(20,4)13-12-16/h7-8,12,18,20-21,26-29H,5-6,9-11,13-15H2,1-4H3/b16-12+,17-8+,19-7+/t18-,20-,21+,25+/m1/s1
InChIKeyFWMNQZFMPSHEAG-OPUYSBDESA-N
Species of MetaboliteComponentSourceComments
Arthrinium (ncbitaxon:112177) - DOI (10.1007/s10600-019-02667-x)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxyterpestacin (CHEBI:210295) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,3E,5S,8E,12E,15S)-5,17-dihydroxy-8-(hydroxymethyl)-18-[(2S)-1-hydroxypropan-2-yl]-4,12,15-trimethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one