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CHEBI:210704 - 25-hydroxyfumitremorgin A

ChEBI IDCHEBI:210704
ChEBI Name25-hydroxyfumitremorgin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41N3O8
Net Charge0
Average Mass595.693
Monoisotopic Mass595.28937
SMILESCOc1ccc2c3c4n(c2c1)[C@@H](C=C(C)CO)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C
InChIInChI=1S/C32H41N3O8/c1-18(2)11-13-41-28-26-21-10-9-20(40-6)15-23(21)34-25(14-19(3)17-36)42-43-31(4,5)16-24(27(26)34)35-29(37)22-8-7-12-33(22)30(38)32(28,35)39/h9-11,14-15,22,24-25,28,36,39H,7-8,12-13,16-17H2,1-6H3/t22-,24-,25+,28-,32+/m0/s1
InChIKeyMROXPMGDKBAOJZ-BMOJZYMJSA-N
ChEBI Ontology
Outgoing Relation(s)
25-hydroxyfumitremorgin A (CHEBI:210704) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(9R,14S,17S,23R,24S)-23-hydroxy-9-(3-hydroxy-2-methylprop-1-enyl)-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
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78439155ChemSpider