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CHEBI:229130 - Glabcensin W

ChEBI IDCHEBI:229130
ChEBI NameGlabcensin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O9
Net Charge0
Average Mass518.603
Monoisotopic Mass518.25158
SMILES[H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4([H])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C1)C(=O)C2=C
InChIInChI=1S/C28H38O9/c1-13-18-11-19(34-14(2)29)22-27(8)10-9-20(35-15(3)30)26(6,7)23(27)21(36-16(4)31)25(37-17(5)32)28(22,12-18)24(13)33/h18-23,25H,1,9-12H2,2-8H3/t18-,19+,20+,21-,22+,23-,25+,27+,28+/m1/s1
InChIKeyZKBSGYHEBWMFOE-QOCFDZAGSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Glabcensin W (CHEBI:229130) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
[(1R,2R,3R,4S,6S,9S,10S,11S,13S)-2,3,11-triacetyloxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Manual XrefsDatabases
4476459ChemSpider