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CHEBI:201653 - Cryptoporic acid Q

ChEBI IDCHEBI:201653
ChEBI NameCryptoporic acid Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O9
Net Charge0
Average Mass482.570
Monoisotopic Mass482.25158
SMILESC=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@@H](CC(=O)O)C(=O)OC
InChIInChI=1S/C25H38O9/c1-15-8-9-19-24(3,14-34-16(2)26)10-7-11-25(19,4)18(15)13-33-21(23(30)32-6)17(12-20(27)28)22(29)31-5/h17-19,21H,1,7-14H2,2-6H3,(H,27,28)/t17-,18+,19+,21-,24+,25-/m1/s1
InChIKeyYCMMTUWPAORXSO-ASVUTRTRSA-N
Species of MetaboliteComponentSourceComments
Fomitella (ncbitaxon:227964) - PubMed (23571531)
ChEBI Ontology
Outgoing Relation(s)
Cryptoporic acid Q (CHEBI:201653) has functional parent tetracarboxylic acid (CHEBI:35742)
Cryptoporic acid Q (CHEBI:201653) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4R)-4-[[(1S,4aR,5R,8aS)-5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid
Manual XrefsDatabases
78436766ChemSpider