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CHEBI:211296 - Quiannulatic acid

ChEBI IDCHEBI:211296
ChEBI NameQuiannulatic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O2
Net Charge0
Average Mass370.577
Monoisotopic Mass370.28718
SMILESCC1=C2C[C@]3(C(=O)O)CC[C@@H](C(C)C)[C@H]3C[C@@H]2[C@@]23CC[C@@H](C)[C@@H]2CC[C@@]13C
InChIInChI=1S/C25H38O2/c1-14(2)17-7-10-24(22(26)27)13-18-16(4)23(5)9-8-19-15(3)6-11-25(19,23)21(18)12-20(17)24/h14-15,17,19-21H,6-13H2,1-5H3,(H,26,27)/t15-,17+,19+,20-,21+,23+,24-,25-/m1/s1
InChIKeyXXBPHKHKRDOYCF-JSCOTLTNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27447198)
ChEBI Ontology
Outgoing Relation(s)
Quiannulatic acid (CHEBI:211296) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2R,5R,6S,9R,13R,16S,17R)-5,9,10-trimethyl-16-propan-2-ylpentacyclo[9.7.0.02,6.02,9.013,17]octadec-10-ene-13-carboxylic acid
Manual XrefsDatabases
78437977ChemSpider