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CHEBI:169414 - Betulafolienetriol

Default Structure
ChEBI IDCHEBI:169414
ChEBI NameBetulafolienetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILESCC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
InChIInChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3
InChIKeyPYXFVCFISTUSOO-UHFFFAOYSA-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)
Betulafolienetriol (CHEBI:169414) is a triterpenoid (CHEBI:36615)
IUPAC Name 
17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Manual XrefsDatabases
3027542ChemSpider
HMDB0035777HMDB