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CHEBI:175562 - Muzanzagenin

ChEBI IDCHEBI:175562
ChEBI NameMuzanzagenin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O5
Net Charge0
Average Mass442.596
Monoisotopic Mass442.27192
SMILES[H][C@]12[C@H](C)[C@@]3(CC[C@@H](C)CO3)O[C@@]1([H])C[C@@]1([H])C3=CCC4=CC(=O)[C@@H](O)C[C@]4(C)[C@@]3([H])C[C@H](O)[C@]21C
InChIInChI=1S/C27H38O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h6,9,14-15,18-19,21-24,29-30H,5,7-8,10-13H2,1-4H3/t14-,15+,18+,19+,21+,22+,23+,24+,25+,26-,27-/m1/s1
InChIKeyQRAOBCVRMVGMTN-QWNORFRRSA-N
ChEBI Ontology
Outgoing Relation(s)
Muzanzagenin (CHEBI:175562) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R,15S)-10,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),17-diene-6,2'-oxane]-16-one
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