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CHEBI:169799 - Stoloniferone F

ChEBI IDCHEBI:169799
ChEBI NameStoloniferone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O5
Net Charge0
Average Mass462.671
Monoisotopic Mass462.33452
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@@]2([H])C[C@@H](O)[C@@]2(O)C=C[C@@H](O)C(=O)[C@]12C
InChIInChI=1S/C28H46O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15-24,29-31,33H,7-10,13-14H2,1-6H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,26+,27-,28-/m0/s1
InChIKeyMCEHIUSRVOSOFI-PPEGKMTJSA-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 F (CHEBI:169799) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,5R,6R,8S,9S,10R,11R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-2,5,6,11-tetrahydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-1-one
Manual XrefsDatabases
9256219ChemSpider
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