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CHEBI:169319 - Stoloniferone E

ChEBI IDCHEBI:169319
ChEBI NameStoloniferone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)C[C@@H](O)[C@]1([H])[C@@]3(C)C(=O)C=CC=C3[C@H](O)C[C@@]21[H]
InChIInChI=1S/C28H44O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-9,16-21,23-24,26,29-30H,10-15H2,1-6H3/t17-,18+,19-,20+,21-,23+,24+,26+,27+,28+/m0/s1
InChIKeyRYMHLKHGLSCOPD-BONNHHEPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Stoloniferone E (CHEBI:169319) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(6R,8S,9S,10R,11R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-6,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one
Manual XrefsDatabases
LMST01031093LIPID MAPS
9297966ChemSpider