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CHEBI:188741 - ximaolide A

ChEBI IDCHEBI:188741
ChEBI Nameximaolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H62O8
Net Charge0
Average Mass682.939
Monoisotopic Mass682.44447
SMILES[H][C@@]12CC/C(C)=C/[C@]3([H])C(=C(C)C[C@@]4([H])C(=O)C[C@H](C)CCC[C@H](C)C(=O)C[C@H](C(C)C)C(=O)C[C@]43C(=O)OC)[C@H](O)C[C@@]3(C)O[C@]3([H])CC[C@@]1(C)O2
InChIInChI=1S/C41H62O8/c1-23(2)28-20-31(42)26(5)12-10-11-24(3)18-32(43)29-19-27(6)37-30(41(29,22-33(28)44)38(46)47-9)17-25(4)13-14-35-39(7,48-35)16-15-36-40(8,49-36)21-34(37)45/h17,23-24,26,28-30,34-36,45H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,29+,30-,34-,35-,36-,39-,40-,41+/m1/s1
InChIKeyYHGSUJXFDCEMBD-RQEOLDACSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
ximaolide A (CHEBI:188741) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
methyl (1R,2R,5R,8S,12R,15R,19R,21R,23R,26R,28R,31E)-19-hydroxy-8,12,17,21,26,31-hexamethyl-4,7,14-trioxo-5-propan-2-yl-22,27-dioxapentacyclo[16.14.0.02,15.021,23.026,28]dotriaconta-17,31-diene-2-carboxylate
Manual XrefsDatabases
23076364ChemSpider