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CHEBI:200267 - Sorbiterrin A

ChEBI IDCHEBI:200267
ChEBI NameSorbiterrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCC=C[C@H]1[C@H]2C(=O)c3c(O)c(C)c(O)c(C)c3[C@]1(C(=O)O)C(=O)C=C2C
InChIInChI=1S/C20H20O6/c1-5-6-11-13-8(2)7-12(21)20(11,19(25)26)15-9(3)16(22)10(4)17(23)14(15)18(13)24/h5-7,11,13,22-23H,1-4H3,(H,25,26)/t11-,13-,20+/m0/s1
InChIKeyHBCFRLHQVKWAKE-HGFQGUBDSA-N
Species of MetaboliteComponentSourceComments
Penicillium terrestre (ncbitaxon:374132) - DOI (10.1016/j.tetlet.2011.11.038)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sorbiterrin A (CHEBI:200267) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
(1S,9R,13S)-4,6-dihydroxy-3,5,10-trimethyl-8,12-dioxo-13-prop-1-enyltricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene-1-carboxylic acid