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CHEBI:225573 - Plicatilisin F

ChEBI IDCHEBI:225573
ChEBI NamePlicatilisin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESCC(C)[C@H]1[C@@H](O)C(=O)[C@@H]2C(=O)C3=C(C(=O)O)[C@@H](O)CC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C20H28O6/c1-9(2)12-16(23)17(24)14-15(22)13-11(18(25)26)10(21)5-6-19(13,3)7-8-20(12,14)4/h9-10,12,14,16,21,23H,5-8H2,1-4H3,(H,25,26)/t10-,12-,14-,16+,19-,20+/m0/s1
InChIKeyIYTKKCNBDYMWIQ-ONVBMZACSA-N
Species of MetaboliteComponentSourceComments
Parasola plicatilis (ncbitaxon:76939) - DOI (10.1016/j.phytol.2013.11.014)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Plicatilisin F (CHEBI:225573) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
(2R,3R,3aR,5aR,8S,10aS)-2,8-dihydroxy-3a,5a-dimethyl-1,10-dioxo-3-propan-2-yl-2,3,4,5,6,7,8,10a-octahydrobenzo[]azulene-9-carboxylic acid
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78437785ChemSpider