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CHEBI:222372 - Herbimycin C

ChEBI IDCHEBI:222372
ChEBI NameHerbimycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O9
Net Charge0
Average Mass560.644
Monoisotopic Mass560.27338
SMILESCO[C@@H]1/C=C/C=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(/C)[C@H]1OC(N)=O
InChIInChI=1S/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11-/t16-,18+,22-,23-,24+,26-,27-/m1/s1
InChIKeyDWFFHRSGCPBMKD-RMHMXCCCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3793634)
ChEBI Ontology
Outgoing Relation(s)
Herbimycin C (CHEBI:222372) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
[(4Z,6E,8R,9R,10Z,12R,13S,14R,16S,17R)-13-hydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Manual XrefsDatabases
78443003ChemSpider