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CHEBI:213602 - Cryptoporic acid P

ChEBI IDCHEBI:213602
ChEBI NameCryptoporic acid P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O9
Net Charge0
Average Mass468.543
Monoisotopic Mass468.23593
SMILESC=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)OC
InChIInChI=1S/C24H36O9/c1-14-7-8-18-23(3,13-33-15(2)25)9-6-10-24(18,4)17(14)12-32-20(21(28)29)16(11-19(26)27)22(30)31-5/h16-18,20H,1,6-13H2,2-5H3,(H,26,27)(H,28,29)/t16-,17+,18+,20-,23+,24-/m1/s1
InChIKeyPJALVTFZLKENDR-HJESDRQUSA-N
Species of MetaboliteComponentSourceComments
Fomitella (ncbitaxon:227964) - PubMed (23571531)
ChEBI Ontology
Outgoing Relation(s)
Cryptoporic acid P (CHEBI:213602) has functional parent tetracarboxylic acid (CHEBI:35742)
Cryptoporic acid P (CHEBI:213602) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R,3R)-2-[[(1S,4aR,5R,8aS)-5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-3-methoxycarbonylpentanedioic acid
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78437492ChemSpider