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CHEBI:201089 - (1R,3S,5R,7R,8R,10S,13S,14R,15R,18R)-6,6,10,14,18-pentamethyl-15-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol

Default Structure
ChEBI IDCHEBI:201089
ChEBI Name(1R,3S,5R,7R,8R,10S,13S,14R,15R,18R)-6,6,10,14,18-pentamethyl-15-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O7
Net Charge0
Average Mass522.723
Monoisotopic Mass522.35565
SMILESCC(C)(O)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@]2(C)[C@]1(C)[C@@H](O)C=C1[C@]23O[C@H]3C[C@H]2C(C)(C)[C@@H](O)[C@H](O)C[C@]12C
InChIInChI=1S/C30H50O7/c1-25(2)19-13-23-30(37-23)20(27(19,5)14-18(32)24(25)35)12-22(34)29(7)17(10-11-28(29,30)6)16(15-31)8-9-21(33)26(3,4)36/h12,16-19,21-24,31-36H,8-11,13-15H2,1-7H3/t16-,17+,18+,19-,21+,22-,23-,24-,27-,28+,29-,30+/m0/s1
InChIKeyZYYDWVOQLORFKO-XJZLRMNFSA-N
Species of MetaboliteComponentSourceComments
Hypholoma fasciculare (ncbitaxon:72129) - PubMed (23634786)
ChEBI Ontology
Outgoing Relation(s)
(1R,3S,5R,7R,8R,10S,13S,14R,15R,18R)-6,6,10,14,18-pentamethyl-15-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol (CHEBI:201089) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,3S,5R,7R,8R,10S,13S,14R,15R,18R)-6,6,10,14,18-pentamethyl-15-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol
Manual XrefsDatabases
30810921ChemSpider