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CHEBI:188820 - klyxumine A

ChEBI IDCHEBI:188820
ChEBI Nameklyxumine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O8
Net Charge0
Average Mass456.576
Monoisotopic Mass456.27232
SMILES[H][C@]12O[C@]([H])([C@H](O)[C@](C)(O)[C@@H](OC(C)=O)CC[C@@]1(C)O)[C@]1([H])[C@@]2([H])[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O
InChIInChI=1S/C24H40O8/c1-12(2)15-8-11-23(6,32-14(4)26)18-17(15)21-22(5,28)10-9-16(30-13(3)25)24(7,29)20(27)19(18)31-21/h12,15-21,27-29H,8-11H2,1-7H3/t15-,16+,17-,18+,19+,20+,21-,22-,23-,24-/m1/s1
InChIKeyMXPJWUTXZSOEAT-ZGFFGHOOSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
klyxumine A (CHEBI:188820) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2R,3R,6R,7S,8S,9S,10S,11S,14R)-6-acetyloxy-9,10,14-trihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl] acetate
Manual XrefsDatabases
9628721ChemSpider