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CHEBI:209077 - Dechdigliotoxin C

ChEBI IDCHEBI:209077
ChEBI NameDechdigliotoxin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34N4O12S2
Net Charge0
Average Mass706.752
Monoisotopic Mass706.16146
SMILESCC(=O)O[C@H]1C=CC=C2C[C@@]3(O)C(=O)N(C)[C@@](CO)(SS[C@@]45CC6=CC=C[C@H](OC(C)=O)[C@H]6N4C(=O)[C@@](O)(CO)N(C)C5=O)C(=O)N3[C@@H]21
InChIInChI=1S/C30H34N4O12S2/c1-15(37)45-19-9-5-7-17-11-27(43)23(39)32(4)30(14-36,26(42)33(27)21(17)19)48-47-29-12-18-8-6-10-20(46-16(2)38)22(18)34(29)24(40)28(44,13-35)31(3)25(29)41/h5-10,19-22,35-36,43-44H,11-14H2,1-4H3/t19-,20-,21-,22-,27+,28-,29+,30-/m0/s1
InChIKeyWVTULHPNOIFRDP-RSFWPRNLSA-N
Species of MetaboliteComponentSourceComments
Dichotomomyces (ncbitaxon:255780) - PubMed (31652800)
ChEBI Ontology
Outgoing Relation(s)
Dechdigliotoxin C (CHEBI:209077) has functional parent α-amino acid (CHEBI:33704)
Dechdigliotoxin C (CHEBI:209077) is a organonitrogen compound (CHEBI:35352)
Dechdigliotoxin C (CHEBI:209077) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(3S,5aS,6S,10aR)-3-[[(3S,5aS,6S,10aR)-6-acetyloxy-3-hydroxy-3-(hydroxymethyl)-2-methyl-1,4-dioxo-6,10-dihydro-5aH-pyrazino[1,2-a]indol-10a-yl]disulanyl]-10a-hydroxy-3-(hydroxymethyl)-2-methyl-1,4-dioxo-6,10-dihydro-5aH-pyrazino[1,2-a]indol-6-yl] acetate
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81361117ChemSpider