EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216404 - Nonthmicin

ChEBI IDCHEBI:216404
ChEBI NameNonthmicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H59ClO12
Net Charge0
Average Mass743.331
Monoisotopic Mass742.36951
SMILESCC[C@@H](C(=O)[C@](C)(O)[C@@H]1CC[C@@](CC)([C@H]2CC[C@](O)([C@@H](C)OC)[C@H](C)O2)O1)[C@H](O)[C@@H](C)[C@H]1O[C@H](CC(=O)C2=C(O)/C(=C/Cl)OC2=O)[C@H](C)C[C@H]1C
InChIInChI=1S/C38H59ClO12/c1-10-24(31(41)21(5)33-20(4)16-19(3)26(49-33)17-25(40)30-32(42)27(18-39)50-35(30)44)34(43)36(8,45)28-12-14-37(11-2,51-28)29-13-15-38(46,22(6)47-9)23(7)48-29/h18-24,26,28-29,31,33,41-42,45-46H,10-17H2,1-9H3/b27-18-/t19-,20-,21-,22-,23+,24-,26-,28+,29-,31-,33+,36-,37+,38+/m1/s1
InChIKeyPSQIWXRCBBEPNM-HAOKHDQBSA-N
Species of MetaboliteComponentSourceComments
Actinomaduraspecies (ncbitaxon:1989) - PubMed (28256141)
ChEBI Ontology
Outgoing Relation(s)
Nonthmicin (CHEBI:216404) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(5Z)-5-(chloromethylidene)-3-[2-[(2R,3R,5R,6S)-6-[(2R,3R,4R,6R)-4-ethyl-6-[(2S,5S)-5-ethyl-5-[(2R,5S,6S)-5-hydroxy-5-[(1R)-1-methoxyethyl]-6-methyloxan-2-yl]oxolan-2-yl]-3,6-dihydroxy-5-oxoheptan-2-yl]-3,5-dimethyloxan-2-yl]acetyl]-4-hydroxyuran-2-one
Manual XrefsDatabases
78439311ChemSpider