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CHEBI:209907 - Meso-xylaridine D

ChEBI IDCHEBI:209907
ChEBI NameMeso-xylaridine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H46N4O4S2
Net Charge0
Average Mass662.922
Monoisotopic Mass662.29605
SMILESCC1=C2SC3=C(CCC4=C5SC6=C(C)C(=O)C(C)(C)N[C@@]6(C)CC5=NC(C)(C)C4=O)C(=O)C(C)(C)N=C3C[C@@]2(C)NC(C)(C)C1=O
InChIInChI=1S/C36H46N4O4S2/c1-17-25(41)33(7,8)39-35(11)15-21-23(45-29(17)35)19(27(43)31(3,4)37-21)13-14-20-24-22(38-32(5,6)28(20)44)16-36(12)30(46-24)18(2)26(42)34(9,10)40-36/h39-40H,13-16H2,1-12H3/t35-,36+
InChIKeyLVNGDQVJKOXPQA-TYHGNQNSSA-N
Species of MetaboliteComponentSourceComments
Xylaria longipes (ncbitaxon:114818) - PubMed (31335156)
ChEBI Ontology
Outgoing Relation(s)
Meso-xylaridine D (CHEBI:209907) is a organic heteromonocyclic ring (CHEBI:52849)
Meso-xylaridine D (CHEBI:209907) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
(10S)-4-[2-[(10R)-6,6,10,12,12,14-hexamethyl-5,13-dioxo-2-thia-7,11-diazatricyclo[8.4.0.03,8]tetradeca-1(14),3,7-trien-4-yl]ethyl]-6,6,10,12,12,14-hexamethyl-2-thia-7,11-diazatricyclo[8.4.0.03,8]tetradeca-1(14),3,7-triene-5,13-dione