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CHEBI:221600 - Cladosporide D

ChEBI IDCHEBI:221600
ChEBI NameCladosporide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILESC[C@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@@](C)(C=O)[C@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C25H38O3/c1-16(14-26)17-8-12-25(5)19-6-7-20-22(2,18(19)9-13-24(17,25)4)11-10-21(28)23(20,3)15-27/h6,9,15-17,20-21,26,28H,7-8,10-14H2,1-5H3/t16-,17-,20-,21-,22-,23-,24-,25+/m1/s1
InChIKeyMVGVXWVKGZLRRK-IJBRNTSBSA-N
Species of MetaboliteComponentSourceComments
Cladosporiumspecies (ncbitaxon:1707700) - PubMed (11714232)
ChEBI Ontology
Outgoing Relation(s)
Cladosporide D (CHEBI:221600) is a cholanoid (CHEBI:36078)
IUPAC Name 
(3R,4R,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde
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9318653ChemSpider