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CHEBI:198845 - Cladosporide A

Default Structure
ChEBI IDCHEBI:198845
ChEBI NameCladosporide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILESC[C@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(C=O)[C@@H]1CC3
InChIInChI=1S/C25H40O3/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/h15-17,20-21,26,28H,6-14H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25+/m1/s1
InChIKeyIMFPTRFAGTZUCB-KGEWIPHDSA-N
Species of MetaboliteComponentSourceComments
Cladosporiumspecies (ncbitaxon:1707700) - PubMed (11045443)
ChEBI Ontology
Outgoing Relation(s)
Cladosporide A (CHEBI:198845) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4R,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde
Manual XrefsDatabases
8699749ChemSpider