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CHEBI:182499 - (1R,2S,3S,4S,5S,8R,9R,12R)-5-Hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid

ChEBI IDCHEBI:182499
ChEBI Name(1R,2S,3S,4S,5S,8R,9R,12R)-5-Hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILES[H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)O)[C@@]1([H])[C@@]3(CO)CC[C@H](O)[C@@]1(C)C(=O)O
InChIInChI=1S/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
InChIKeyUAKKWAVFAPTAOA-SQLMURCQSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant hormone  A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,3S,4S,5S,8R,9R,12R)-5-Hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid (CHEBI:182499) is a C20-gibberellin (CHEBI:20859)
IUPAC Name 
(1R,2S,3S,4S,5S,8R,9R,12R)-5-hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Manual XrefsDatabases
391666ChemSpider
C11859KEGG COMPOUND
LMPR01040076LIPID MAPS