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CHEBI:212441 - Stoloniferone S

ChEBI IDCHEBI:212441
ChEBI NameStoloniferone S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O5
Net Charge0
Average Mass474.682
Monoisotopic Mass474.33452
SMILESCC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C=C[C@@H](O)C(=O)[C@]4(C)[C@H]3[C@H](O)C[C@]12C
InChIInChI=1S/C29H46O5/c1-14(2)15(3)17-11-18(17)16(4)20-7-8-21-19-12-24(32)29(34)10-9-22(30)26(33)28(29,6)25(19)23(31)13-27(20,21)5/h9-10,14-25,30-32,34H,7-8,11-13H2,1-6H3/t15-,16-,17-,18-,19+,20-,21+,22-,23-,24-,25-,27-,28+,29+/m1/s1
InChIKeyVLHHDCPLZKAFIF-SEQHCROOSA-N
Species of MetaboliteComponentSourceComments
Clavularia viridis (ncbitaxon:153213) - PubMed (18291432)
ChEBI Ontology
Outgoing Relation(s)
Stoloniferone S (CHEBI:212441) has parent hydride pregnane (CHEBI:8386)
Stoloniferone S (CHEBI:212441) is a steroid (CHEBI:35341)
IUPAC Name 
(2R,5R,6R,8S,9S,10R,11R,13R,14S,17R)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-1-one
Manual XrefsDatabases
27023737ChemSpider