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CHEBI:217232 - Episarcoviolin beta

ChEBI IDCHEBI:217232
ChEBI NameEpisarcoviolin beta
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30N2O11
Net Charge0
Average Mass594.573
Monoisotopic Mass594.18496
SMILESCC[C@@H](C)[C@]12Oc3cc(C4=C(O)C(=O)C(c5ccc(O)cc5)=C(O)C4=O)ccc3O[N@+]1([O-])C(O)=C([C@@H](C)CC)N(O)C2=O
InChIInChI=1S/C30H30N2O11/c1-5-14(3)23-28(38)32(41)30(15(4)6-2,29(39)31(23)40)42-20-13-17(9-12-19(20)43-32)22-26(36)24(34)21(25(35)27(22)37)16-7-10-18(33)11-8-16/h7-15,33-34,37-38,40H,5-6H2,1-4H3/t14-,15+,30+,32+/m0/s1
InChIKeyHEXAABFDZKPMQT-DHJISALFSA-N
Species of MetaboliteComponentSourceComments
Sarcodon leucopus (ncbitaxon:487363) - PubMed (24645629)
ChEBI Ontology
Outgoing Relation(s)
Episarcoviolin beta (CHEBI:217232) has functional parent α-amino acid (CHEBI:33704)
Episarcoviolin beta (CHEBI:217232) is a organonitrogen compound (CHEBI:35352)
Episarcoviolin beta (CHEBI:217232) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(5R,11aR)-3-[(2S)-butan-2-yl]-11a-[(2R)-butan-2-yl]-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-3,6-dihydroxy-5-(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
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