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CHEBI:199580 - Sarcodonin

ChEBI IDCHEBI:199580
ChEBI NameSarcodonin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38N2O14
Net Charge0
Average Mass722.700
Monoisotopic Mass722.23230
SMILESCC[C@H](C)/C(=N\O)C(=O)N(O)C1([C@@H](C)CC)Oc2ccc(-c3c(O)c(O)c(-c4ccc(OC(C)=O)cc4)c(OC(C)=O)c3OC(C)=O)cc2OC1=O
InChIInChI=1S/C36H38N2O14/c1-8-17(3)29(37-46)34(44)38(47)36(18(4)9-2)35(45)51-26-16-23(12-15-25(26)52-36)28-31(43)30(42)27(22-10-13-24(14-11-22)48-19(5)39)32(49-20(6)40)33(28)50-21(7)41/h10-18,42-43,46-47H,8-9H2,1-7H3/b37-29+/t17-,18-,36?/m0/s1
InChIKeyCQRSQWPSGPPZFD-JLKNGZDZSA-N
Species of MetaboliteComponentSourceComments
Sarcodon leucopus (ncbitaxon:487363) - DOI (10.1021/np990293d)
ChEBI Ontology
Outgoing Relation(s)
Sarcodonin (CHEBI:199580) has functional parent tetracarboxylic acid (CHEBI:35742)
Sarcodonin (CHEBI:199580) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[4-[2,3-diacetyloxy-4-[2-[(2S)-butan-2-yl]-2-[hydroxy-[(2E,3S)-2-hydroxyimino-3-methylpentanoyl]amino]-3-oxo-1,4-benzodioxin-6-yl]-5,6-dihydroxyphenyl]phenyl] acetate
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