CHEBI:224269 - Cladosporide B

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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 Cladosporide B
ChEBI ID CHEBI:224269
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O3
Net Charge 0
Average Mass 386.576
Monoisotopic Mass 386.28210
InChI InChI=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
InChIKey MVGVXWVKGZLRRK-KGEWIPHDSA-N
SMILES O=C[C@]1([C@@H](O)CC[C@]2([C@H]1CC=C3C2=CC[C@]4([C@]3(CC[C@@H]4[C@@H](CO)C)C)C)C)C
Metabolite of Species Details
Cladosporiumspecies (NCBI:txid1707700) See: PubMed
ChEBI Ontology
Outgoing Cladosporide B (CHEBI:224269) is a cholanoid (CHEBI:36078)
IUPAC Name
(3S,4R,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde
Manual Xref Database
9999879 ChemSpider
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