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CHEBI:213562 - Emeriphenolicin G

ChEBI IDCHEBI:213562
ChEBI NameEmeriphenolicin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC45H65NO8
Net Charge0
Average Mass748.014
Monoisotopic Mass747.47102
SMILESCOC(=O)CC[C@@H](C(=O)OC)N1Cc2c(O)c(OCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c2C1=O
InChIInChI=1S/C45H65NO8/c1-30(2)15-11-17-32(5)19-13-21-34(7)23-24-36-40-37(29-46(44(40)50)38(45(51)53-10)25-26-39(47)52-9)42(49)43(41(36)48)54-28-27-35(8)22-14-20-33(6)18-12-16-31(3)4/h15-16,19-20,23,27,38,48-49H,11-14,17-18,21-22,24-26,28-29H2,1-10H3/t38-/m0/s1
InChIKeyNSYSGTRMMZYMLS-LHEWISCISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27588428)
ChEBI Ontology
Outgoing Relation(s)
Emeriphenolicin G (CHEBI:213562) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
dimethyl (2S)-2-[5,7-dihydroxy-3-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-4-(3,7,11-trimethyldodeca-2,6,10-trienyl)-1H-isoindol-2-yl]pentanedioate
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