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CHEBI:208850 - Penigrisacid D

ChEBI IDCHEBI:208850
ChEBI NamePenigrisacid D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC=C(C)[C@]1(O)CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)CC[C@H]31
InChIInChI=1S/C15H22O5/c1-9(2)14(18)6-5-13-7-11(20-8-13)15(19,12(16)17)4-3-10(13)14/h10-11,18-19H,1,3-8H2,2H3,(H,16,17)/t10-,11-,13-,14-,15-/m1/s1
InChIKeySMLOBFXLRPFWMO-OKNSCYNVSA-N
Species of MetaboliteComponentSourceComments
Penicillium griseofulvum (ncbitaxon:5078) - PubMed (31470535)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penigrisacid D (CHEBI:208850) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(1S,4S,5R,8R,9R)-4,8-dihydroxy-4-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
Manual XrefsDatabases
81131464ChemSpider