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CHEBI:205414 - Cristatumin C

ChEBI IDCHEBI:205414
ChEBI NameCristatumin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32N6O4
Net Charge0
Average Mass540.624
Monoisotopic Mass540.24850
SMILESCC(C)[C@H]1NC(=O)[C@H]2C[C@@]3(C45C[C@H]6C(=O)N[C@@H](C)C(=O)N6[C@H]4Nc4ccccc45)c4ccccc4N[C@H]3N2C1=O
InChIInChI=1S/C30H32N6O4/c1-14(2)22-26(40)36-21(24(38)34-22)13-30(17-9-5-7-11-19(17)33-28(30)36)29-12-20-23(37)31-15(3)25(39)35(20)27(29)32-18-10-6-4-8-16(18)29/h4-11,14-15,20-22,27-28,32-33H,12-13H2,1-3H3,(H,31,37)(H,34,38)/t15-,20-,21+,22+,27+,28-,29?,30+/m0/s1
InChIKeyMDAJURROFWVFFH-ONNVNGFZSA-N
Species of MetaboliteComponentSourceComments
Eurotium (ncbitaxon:28569) - PubMed (22727636)
ChEBI Ontology
Outgoing Relation(s)
Cristatumin C (CHEBI:205414) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S)-9-[(1S,4R,7R,9S)-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-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
78441050ChemSpider