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CHEBI:210680 - 25-hydroxyfumitremorgin B

ChEBI IDCHEBI:210680
ChEBI Name25-hydroxyfumitremorgin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O6
Net Charge0
Average Mass495.576
Monoisotopic Mass495.23694
SMILESCOc1ccc2c3c(n(CC=C(C)CO)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O
InChIInChI=1S/C27H33N3O6/c1-15(2)12-21-23-22(18-8-7-17(36-4)13-20(18)28(23)11-9-16(3)14-31)24(32)27(35)26(34)29-10-5-6-19(29)25(33)30(21)27/h7-9,12-13,19,21,24,31-32,35H,5-6,10-11,14H2,1-4H3/t19-,21-,24-,27+/m0/s1
InChIKeyFIICBVXELZPDTN-MWGWWEMPSA-N
ChEBI Ontology
Outgoing Relation(s)
25-hydroxyfumitremorgin B (CHEBI:210680) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,2S,12S,15S)-1,2-dihydroxy-10-(4-hydroxy-3-methylbut-2-enyl)-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
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78439151ChemSpider