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CHEBI:210159 - Halosmysin A

ChEBI IDCHEBI:210159
ChEBI NameHalosmysin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38N2O9S
Net Charge0
Average Mass614.717
Monoisotopic Mass614.22980
SMILESCSC12NC(=O)C(Cc3ccc(OCC=C(C)C)cc3)(NC1=O)[C@H]1C(=O)O[C@H](C)C/C=C/C(=O)O[C@H](C)C[C@@H](O)C(=O)[C@H]12
InChIInChI=1S/C31H38N2O9S/c1-17(2)13-14-40-21-11-9-20(10-12-21)16-30-25-24(31(43-5,29(39)32-30)33-28(30)38)26(36)22(34)15-19(4)41-23(35)8-6-7-18(3)42-27(25)37/h6,8-13,18-19,22,24-25,34H,7,14-16H2,1-5H3,(H,32,39)(H,33,38)/b8-6+/t18-,19-,22-,24+,25-,30?,31?/m1/s1
InChIKeyFMLJXDSUXQPYDR-CULYBRMLSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Halosmysin A (CHEBI:210159) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,5R,7E,11R,13R,15S)-13-hydroxy-5,11-dimethyl-1-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-16-methylsulanyl-4,10-dioxa-17,19-diazatricyclo[14.2.2.02,15]icos-7-ene-3,9,14,18,20-pentone