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CHEBI:198537 - Nodulisporisteroid L

ChEBI IDCHEBI:198537
ChEBI NameNodulisporisteroid L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC(=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C(=O)O)[C@@H]1[C@H](O)C3
InChIInChI=1S/C22H32O5/c1-11(23)13-4-5-14-12-10-17(25)19-18(20(26)27)16(24)7-9-22(19,3)15(12)6-8-21(13,14)2/h13-14,16-19,24-25H,4-10H2,1-3H3,(H,26,27)/t13-,14+,16+,17-,18-,19+,21-,22-/m1/s1
InChIKeyWQQALAOCZONREL-QNHGDDGMSA-N
Species of MetaboliteComponentSourceComments
Nodulisporium (ncbitaxon:96453) - PubMed (26254609)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporisteroid L (CHEBI:198537) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
(3S,4S,5S,6R,10S,13S,14R,17S)-17-acetyl-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
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