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CHEBI:211524 - Nodulisporisteroid Q

ChEBI IDCHEBI:211524
ChEBI NameNodulisporisteroid Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESC[C@H](O)[C@@H]1C(=O)CC2=C(CC[C@]3(C)[C@@H](C(=O)CO)CC[C@@H]23)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C22H32O6/c1-12(24)20-17(25)10-13-14-4-5-16(18(26)11-23)21(14,2)8-6-15(13)22(20,3)9-7-19(27)28/h12,14,16,20,23-24H,4-11H2,1-3H3,(H,27,28)/t12-,14-,16+,20+,21-,22+/m0/s1
InChIKeyNZZKRFFFUVCLAB-XRZMZIDPSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies (ncbitaxon:1897413) - DOI (10.1016/j.tet.2018.08.011)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Nodulisporisteroid Q (CHEBI:211524) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
3-[(3S,3aS,6S,7R,9bR)-3-(2-hydroxyacetyl)-7-[(1S)-1-hydroxyethyl]-3a,6-dimethyl-8-oxo-1,2,3,4,5,7,9,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
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