EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169836 - Cryptomeridiol 11-rhamnoside

ChEBI IDCHEBI:169836
ChEBI NameCryptomeridiol 11-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O6
Net Charge0
Average Mass386.529
Monoisotopic Mass386.26684
SMILES[H][C@@]1(C(C)(C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)CC[C@@]2(C)CCC[C@@](C)(O)[C@]2([H])C1
InChIInChI=1S/C21H38O6/c1-12-15(22)16(23)17(24)18(26-12)27-19(2,3)13-7-10-20(4)8-6-9-21(5,25)14(20)11-13/h12-18,22-25H,6-11H2,1-5H3/t12-,13+,14+,15-,16+,17+,18-,20+,21+/m0/s1
InChIKeyHUSBLOAZNQURFJ-YOYCCLINSA-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)
Cryptomeridiol 11-rhamnoside (CHEBI:169836) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(2S,3R,4R,5R,6S)-2-[2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
9906521ChemSpider