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CHEBI:204337 - Decipinin A

ChEBI IDCHEBI:204337
ChEBI NameDecipinin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O12
Net Charge0
Average Mass600.617
Monoisotopic Mass600.22068
SMILESCCC/C=C/C=C/C=C/C(=O)O[C@H]1C2=CC(=O)C(C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@H]2OC(=O)CCC(=O)O
InChIInChI=1S/C31H36O12/c1-5-6-7-8-9-10-11-12-26(36)41-29-21-17-23(33)30(4,43-20(3)32)28(38)22(21)18-39-31(29)24(14-13-19(2)42-31)40-27(37)16-15-25(34)35/h7-12,17-19,24,29H,5-6,13-16H2,1-4H3,(H,34,35)/b8-7+,10-9+,12-11+/t19-,24+,29-,30?,31-/m0/s1
InChIKeyBNUGSCJDRYIKLJ-ZNUWDPTQSA-N
Species of MetaboliteComponentSourceComments
Rhypophila decipiens (ncbitaxon:261697) - PubMed (12088438)
ChEBI Ontology
Outgoing Relation(s)
Decipinin A (CHEBI:204337) has functional parent tetracarboxylic acid (CHEBI:35742)
Decipinin A (CHEBI:204337) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[(3R,3'R,4S,6'S)-7-acetyloxy-4-[(2E,4E,6E)-deca-2,4,6-trienoyl]oxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-3'-yl]oxy-4-oxobutanoic acid
Manual XrefsDatabases
78437126ChemSpider