EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212361 - Dihydroherbimycin A

ChEBI IDCHEBI:212361
ChEBI NameDihydroherbimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44N2O9
Net Charge0
Average Mass576.687
Monoisotopic Mass576.30468
SMILESCO[C@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)c2cc(O)cc(c2O)NC(=O)/C(C)=C/C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C
InChIInChI=1S/C30H44N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1
InChIKeyQANBQEQVJJKJTJ-BVXDHVRPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (3236008)
ChEBI Ontology
Outgoing Relation(s)
Dihydroherbimycin A (CHEBI:212361) is a azamacrocycle (CHEBI:52898)
Dihydroherbimycin A (CHEBI:212361) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-20,22-dihydroxy-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
Manual XrefsDatabases
23327406ChemSpider