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CHEBI:211324 - Cladosporin B

ChEBI IDCHEBI:211324
ChEBI NameCladosporin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22N2O4S2
Net Charge0
Average Mass442.562
Monoisotopic Mass442.10210
SMILESCS[C@@]12Cc3ccccc3N1C(=O)[C@]1(SC)CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C2=O
InChIInChI=1S/C22H22N2O4S2/c1-13(25)28-17-10-6-8-15-12-22(30-3)19(26)23-16-9-5-4-7-14(16)11-21(23,29-2)20(27)24(22)18(15)17/h4-10,17-18H,11-12H2,1-3H3/t17-,18-,21+,22+/m0/s1
InChIKeyZHUVKAWBEQDOLB-MOXQZVSFSA-N
Species of MetaboliteComponentSourceComments
Cladosporiumspecies (ncbitaxon:1707700) - PubMed (25584683)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cladosporin B (CHEBI:211324) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
[(1R,4S,5S,11R)-1,11-bis(methylsulanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,8,14,16,18-pentaen-5-yl] acetate
Manual XrefsDatabases
35516720ChemSpider