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CHEBI:213583 - Chenopodolin B

ChEBI IDCHEBI:213583
ChEBI NameChenopodolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILESC=C[C@]1(C)CC2=CC(=O)[C@@H]3[C@]4(C)C(=O)OC([C@H]4OC(C)=O)[C@@H](OC(C)=O)[C@@]3(C)[C@@H]2C[C@@H]1OC(C)=O
InChIInChI=1S/C26H32O9/c1-8-24(5)11-15-9-17(30)20-25(6,16(15)10-18(24)32-12(2)27)21(33-13(3)28)19-22(34-14(4)29)26(20,7)23(31)35-19/h8-9,16,18-22H,1,10-11H2,2-7H3/t16-,18+,19?,20+,21-,22-,24-,25+,26+/m1/s1
InChIKeyUKVZYZLTRBOIDM-NSBUEDILSA-N
Species of MetaboliteComponentSourceComments
Didymella chenopodii (ncbitaxon:749820) - PubMed (26226110)
ChEBI Ontology
Outgoing Relation(s)
Chenopodolin B (CHEBI:213583) has functional parent tetracarboxylic acid (CHEBI:35742)
Chenopodolin B (CHEBI:213583) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,7S,8S,10R,11S,12S,16S)-12,16-diacetyloxy-7-ethenyl-1,7,11-trimethyl-3,15-dioxo-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-4-en-8-yl] acetate
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78443430ChemSpider