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CHEBI:210686 - 12beta-hydroxy-13alpha-butoxyethoxyfumitremorgin B

ChEBI IDCHEBI:210686
ChEBI Name12beta-hydroxy-13alpha-butoxyethoxyfumitremorgin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H45N3O6
Net Charge0
Average Mass579.738
Monoisotopic Mass579.33084
SMILESCCCCOCCO[C@H]1c2c(n(CC=C(C)C)c3cc(OC)ccc23)[C@H](C=C(C)C)N2C(=O)[C@@H]3CCCN3C(=O)[C@@]12O
InChIInChI=1S/C33H45N3O6/c1-7-8-16-41-17-18-42-30-28-24-12-11-23(40-6)20-26(24)34(15-13-21(2)3)29(28)27(19-22(4)5)36-31(37)25-10-9-14-35(25)32(38)33(30,36)39/h11-13,19-20,25,27,30,39H,7-10,14-18H2,1-6H3/t25-,27-,30-,33-/m0/s1
InChIKeyPYWZNFQEMIJMHS-RXGXIXFLSA-N
ChEBI Ontology
Outgoing Relation(s)
12beta-hydroxy-13alpha-butoxyethoxyfumitremorgin B (CHEBI:210686) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1S,2S,12S,15S)-2-(2-butoxyethoxy)-1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-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
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78439152ChemSpider