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CHEBI:219944 - Monodesacetylcephalosporin-P1

ChEBI IDCHEBI:219944
ChEBI NameMonodesacetylcephalosporin-P1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O7
Net Charge0
Average Mass532.718
Monoisotopic Mass532.34000
SMILESCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4[C@@H](O)[C@H](O)[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O
InChIInChI=1S/C31H48O7/c1-16(2)9-8-10-19(28(36)37)24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(34)27(35)31(23,7)30(20,6)15-22(24)38-18(4)32/h9,17,20-23,25-27,33-35H,8,10-15H2,1-7H3,(H,36,37)/b24-19+/t17-,20+,21-,22+,23+,25-,26-,27+,29-,30+,31-/m1/s1
InChIKeyQXLOOBQIYRMRDB-UXOHNORYSA-N
Species of MetaboliteComponentSourceComments
Hapsidospora chrysogena (ncbitaxon:5044) - DOI (10.1016/s0040-4020(01)82867-2)
ChEBI Ontology
Outgoing Relation(s)
Monodesacetylcephalosporin-P1 (CHEBI:219944) is a steroid ester (CHEBI:47880)
IUPAC Name 
(2E)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-16-acetyloxy-3,6,7-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
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78438194ChemSpider