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CHEBI:172029 - Glypallidifloric acid

Default Structure
ChEBI IDCHEBI:172029
ChEBI NameGlypallidifloric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESCC1(C)C2CC[C@]3(C)C(C=CC4=C5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O
InChIInChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21?,22?,23-,26+,27-,28-,29+,30+/m0/s1
InChIKeyTTYAJXXKGDEWSY-VXMMCASNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Glypallidifloric acid (CHEBI:172029) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylic acid
Manual XrefsDatabases
35014655ChemSpider
HMDB0038758HMDB