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CHEBI:211542 - Nodulisporisteroid P

ChEBI IDCHEBI:211542
ChEBI NameNodulisporisteroid P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCC(=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](CO)[C@H](O)C3
InChIInChI=1S/C21H32O5/c1-12(23)14-4-5-15-13-10-18(24)17(11-22)21(3,9-7-19(25)26)16(13)6-8-20(14,15)2/h14-15,17-18,22,24H,4-11H2,1-3H3,(H,25,26)/t14-,15+,17-,18-,20-,21-/m1/s1
InChIKeyYNMLSPGNWXNXLY-PEOYNUHJSA-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 P (CHEBI:211542) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
3-[(3S,3aS,6S,7R,8R,9bR)-3-acetyl-8-hydroxy-7-(hydroxymethyl)-3a,6-dimethyl-2,3,4,5,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
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78439201ChemSpider