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CHEBI:210651 - Norbadion A

ChEBI IDCHEBI:210651
ChEBI NameNorbadion A
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SubmitterMetaboLights
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FormulaC35H18O15
Net Charge0
Average Mass678.514
Monoisotopic Mass678.06457
SMILESO=C1O/C(=C(/C(=O)O)c2ccc(O)cc2)C(O)=C1c1cc2c3c(c(O)cc(C4=C(O)/C(=C(\C(=O)O)c5ccc(O)cc5)OC4=O)c3c1)OC2=O
InChIInChI=1S/C35H18O15/c36-15-5-1-12(2-6-15)22(31(41)42)29-26(39)21(34(46)49-29)14-9-17-18(11-20(38)28-24(17)19(10-14)33(45)48-28)25-27(40)30(50-35(25)47)23(32(43)44)13-3-7-16(37)8-4-13/h1-11,36-40H,(H,41,42)(H,43,44)/b29-22+,30-23+
InChIKeyNEAFOYGNZAYARY-KBWMUOTDSA-N
Species of MetaboliteComponentSourceComments
Imleria badia (ncbitaxon:36058) - DOI (10.1002/anie.198404451)
ChEBI Ontology
Outgoing Relation(s)
Norbadion A (CHEBI:210651) has functional parent tetracarboxylic acid (CHEBI:35742)
Norbadion A (CHEBI:210651) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2E)-2-[4-[9-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxouran-3-yl]-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-6-yl]-3-hydroxy-5-oxouran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
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