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CHEBI:226703 - 5'-deoxyneomacrophorin IV

ChEBI IDCHEBI:226703
ChEBI Name5'-deoxyneomacrophorin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O7
Net Charge0
Average Mass462.583
Monoisotopic Mass462.26175
SMILESC=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1C[C@]1(O)CC(=O)C(COC(=O)C[C@H](C)O)=CC1=O
InChIInChI=1S/C26H38O7/c1-15-6-7-20-24(3,4)21(29)8-9-25(20,5)18(15)12-26(32)13-19(28)17(11-22(26)30)14-33-23(31)10-16(2)27/h11,16,18,20-21,27,29,32H,1,6-10,12-14H2,2-5H3/t16-,18-,20-,21+,25+,26-/m0/s1
InChIKeyRVSXFPAGFGEAHS-LDVINVOLSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - DOI (10.1016/j.tet.2019.04.018)
ChEBI Ontology
Outgoing Relation(s)
5'-deoxyneomacrophorin IV (CHEBI:226703) is a prenylquinone (CHEBI:26255)
IUPAC Name 
[(4S)-4-[[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4-hydroxy-3,6-dioxocyclohexen-1-yl]methyl (3S)-3-hydroxybutanoate