CHEBI:198537 - Nodulisporisteroid L

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nodulisporisteroid L
ChEBI ID CHEBI:198537
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=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
InChIKey WQQALAOCZONREL-QNHGDDGMSA-N
SMILES O=C(O)[C@H]1[C@H]2[C@@](C3=C([C@H]4[C@]([C@@H](C(=O)C)CC4)(C)CC3)C[C@H]2O)(CC[C@@H]1O)C
Metabolite of Species Details
Nodulisporium (NCBI:txid96453) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78443367 ChemSpider
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