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CHEBI:191971 - Coriandrinonediol

Default Structure
ChEBI IDCHEBI:191971
ChEBI NameCoriandrinonediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@]12CC(O)C3[C@@]4(C)C(=O)CCC(C)(C)C4CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(O)CC[C@]21C
InChIInChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3/t18?,19?,20-,21+,22?,24?,27-,28+,29+,30+/m0/s1
InChIKeyGGVUQGXIFKUXHY-REFDUXKVSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Coriandrinonediol (CHEBI:191971) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6aR,6aR,6bR,8aR,12aR,14S,14bS)-10,14-dihydroxy-4,4,6a,6b,9,9,12a,14b-octamethyl-3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-2H-picen-1-one
Manual XrefsDatabases
35014669ChemSpider
HMDB0038799HMDB