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CHEBI:210677 - Hydrocycloprostatin B

ChEBI IDCHEBI:210677
ChEBI NameHydrocycloprostatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O6
Net Charge0
Average Mass427.457
Monoisotopic Mass427.17434
SMILESCOc1ccc2c3c(nc2c1)[C@H](C=C(C)C)N1C(=O)C2(O)CCCN2C(=O)[C@@]1(O)[C@H]3O
InChIInChI=1S/C22H25N3O6/c1-11(2)9-15-17-16(13-6-5-12(31-3)10-14(13)23-17)18(26)22(30)20(28)24-8-4-7-21(24,29)19(27)25(15)22/h5-6,9-10,15,18,23,26,29-30H,4,7-8H2,1-3H3/t15-,18-,21?,22-/m0/s1
InChIKeyIMHUEQFKKFHEOM-KZAMVRPQSA-N
ChEBI Ontology
Outgoing Relation(s)
Hydrocycloprostatin B (CHEBI:210677) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1S,2S,12S)-1,2,15-trihydroxy-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Manual XrefsDatabases
78439150ChemSpider