EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168465 - Stoloniferone G

ChEBI IDCHEBI:168465
ChEBI NameStoloniferone G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O5
Net Charge0
Average Mass460.655
Monoisotopic Mass460.31887
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=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/C28H44O5/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/h11-12,15,17-24,29-31,33H,3,7-10,13-14H2,1-2,4-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,26-,27+,28+/m1/s1
InChIKeyXLUAFUWMFZEETH-QFEHSGLGSA-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 G (CHEBI:168465) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,5R,6R,8S,9S,10R,11R,13R,14S,17R)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-1-one
Manual XrefsDatabases
LMST01031094LIPID MAPS
9907951ChemSpider