CHEBI:182395 - Dtxsid30925075

ChEBI IDCHEBI:182395
ChEBI NameDtxsid30925075
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O8S
Net Charge0
Average Mass442.530
Monoisotopic Mass442.16614
SMILESCC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CC[C@]2(O)C(=O)COS(=O)(=O)O
InChIInChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14?,15?,16?,18?,19?,20?,21-/m0/s1
InChIKeyJOVLCJDINAUYJW-OXPLYMOZSA-N
ChEBI Ontology
Outgoing Relation(s)
Dtxsid30925075 (CHEBI:182395) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[2-[(17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulate
Manual XrefsDatabases
C02822KEGG COMPOUND
388867ChemSpider