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CHEBI:184114 - Venturicidin a

ChEBI IDCHEBI:184114
ChEBI NameVenturicidin a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H67NO11
Net Charge0
Average Mass749.983
Monoisotopic Mass749.47141
SMILES[H][C@]1([C@H](C)C[C@@H](C)[C@H](O)[C@H](C)C(=O)CC)OC(=O)C[C@@]2(O)CC=C(C)[C@]([H])(O2)/C(C)=C/CCC[C@@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C
InChIInChI=1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15+,24-13+/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,41+/m0/s1
InChIKeyHHQKNFDAEDTRJK-LIOWZGMGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Venturicidin a (CHEBI:184114) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-2-methyloxan-4-yl] carbamate
Manual XrefsDatabases
8231414ChemSpider