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CHEBI:211517 - Nodulisporisteroid M

ChEBI IDCHEBI:211517
ChEBI NameNodulisporisteroid M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O7
Net Charge0
Average Mass394.464
Monoisotopic Mass394.19915
SMILESC[C@]12CCC3=C(CC(=O)[C@@H]([C@@H](O)CO)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@H]2C(=O)O
InChIInChI=1S/C21H30O7/c1-20-7-5-13-11(12(20)3-4-14(20)19(27)28)9-15(23)18(16(24)10-22)21(13,2)8-6-17(25)26/h12,14,16,18,22,24H,3-10H2,1-2H3,(H,25,26)(H,27,28)/t12-,14+,16-,18-,20-,21+/m0/s1
InChIKeyZWUWJKRACXICAP-VVXYRTGMSA-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 M (CHEBI:211517) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
(3S,3aS,6S,7R,9bR)-6-(2-carboxyethyl)-7-[(1R)-1,2-dihydroxyethyl]-3a,6-dimethyl-8-oxo-1,2,3,4,5,7,9,9b-octahydrocyclopenta[a]naphthalene-3-carboxylic acid
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78439197ChemSpider