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CHEBI:199910 - Eurocristatine

ChEBI IDCHEBI:199910
ChEBI NameEurocristatine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N6O4
Net Charge0
Average Mass568.678
Monoisotopic Mass568.27980
SMILESCC(C)[C@H]1NC(=O)[C@@H]2CC3([C@]45C[C@H]6C(=O)N[C@H](C(C)C)C(=O)N6[C@H]4Nc4ccccc45)c4ccccc4N[C@@H]3N2C1=O
InChIInChI=1S/C32H36N6O4/c1-15(2)23-27(41)37-21(25(39)35-23)13-31(17-9-5-7-11-19(17)33-29(31)37)32-14-22-26(40)36-24(16(3)4)28(42)38(22)30(32)34-20-12-8-6-10-18(20)32/h5-12,15-16,21-24,29-30,33-34H,13-14H2,1-4H3,(H,35,39)(H,36,40)/t21-,22-,23+,24+,29+,30+,31-,32?/m0/s1
InChIKeyVKGJCECPEIOHGI-JSWPSKBPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cristatus (ncbitaxon:573508) - DOI (10.1016/j.phytol.2012.07.010)
ChEBI Ontology
Outgoing Relation(s)
Eurocristatine (CHEBI:199910) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4R,7S,9R)-9-[(1R,4R,7S,9R)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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29215256ChemSpider