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CHEBI:188529 - lobophytone A

ChEBI IDCHEBI:188529
ChEBI Namelobophytone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H64O9
Net Charge0
Average Mass700.954
Monoisotopic Mass700.45503
SMILES[H][C@@]12CC[C@@](C)(O)[C@]([H])(CC/C(C)=C/[C@@]3([H])C(=C(C)[C@H](C(=O)OC)C4CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@]43[H])[C@H](O)C[C@]1(C)O)O2
InChIInChI=1S/C41H64O9/c1-22(2)27-19-30(42)25(5)12-10-11-23(3)18-32(44)38-28-17-24(4)13-14-34-40(7,47)16-15-35(50-34)41(8,48)21-33(45)36(28)26(6)37(39(46)49-9)29(38)20-31(27)43/h17,22-23,25,27-29,33-35,37-38,45,47-48H,10-16,18-21H2,1-9H3/b24-17+/t23-,25+,27-,28-,29?,33+,34-,35+,37-,38-,40+,41-/m0/s1
InChIKeyICJBSSYMGRAQTJ-PIFHQXSSSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
lobophytone A (CHEBI:188529) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
methyl (1R,2S,4R,7R,11S,14R,18S,21R,22R,23Z,27S,28R)-2,4,28-trihydroxy-2,6,14,18,24,28-hexamethyl-10,13,20-trioxo-11-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23-diene-7-carboxylate