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CHEBI:182729 - 2,3,12-Trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Default Structure
ChEBI IDCHEBI:182729
ChEBI Name2,3,12-Trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O12
Net Charge0
Average Mass680.832
Monoisotopic Mass680.37718
SMILESCC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1O
InChIInChI=1S/C36H56O12/c1-31(2)11-13-36(30(46)48-28-25(41)24(40)23(39)19(16-37)47-28)14-12-33(4)17(22(36)27(31)43)7-8-20-32(3)15-18(38)26(42)35(6,29(44)45)21(32)9-10-34(20,33)5/h7,18-28,37-43H,8-16H2,1-6H3,(H,44,45)
InChIKeyNZNHJGNBLPBNLU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3,12-Trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid (CHEBI:182729) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid