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CHEBI:188679 - junceellonoid D

ChEBI IDCHEBI:188679
ChEBI Namejunceellonoid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31ClO9
Net Charge0
Average Mass498.956
Monoisotopic Mass498.16566
SMILES[H][C@@]12O[C@]3([C@@H](C)C(=O)O[C@]3([H])[C@@H](Cl)C1=C)[C@H](OC(C)=O)[C@@]1([H])C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](O)[C@@H]2O
InChIInChI=1S/C24H31ClO9/c1-9-7-8-14(31-12(4)26)23(6)15(9)20(32-13(5)27)24-11(3)22(30)33-21(24)16(25)10(2)18(34-24)17(28)19(23)29/h11,14-21,28-29H,1-2,7-8H2,3-6H3/t11-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m0/s1
InChIKeyGVRHDMLVJZRFJT-MJMOLNCISA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
junceellonoid D (CHEBI:188679) is a furopyran (CHEBI:74927)
IUPAC Name 
[(1R,2S,3S,7S,8S,9R,10S,11R,13S,14S,17R)-2-acetyloxy-13-chloro-9,10-dihydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl] acetate