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CHEBI:190323 - Lucyin A

Default Structure
ChEBI IDCHEBI:190323
ChEBI NameLucyin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILES[H][C@]12CC=C3[C@@]4([H])CC(C)(C)[C@@H](O)C[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CCC1[C@](C)(C=O)[C@@H](O)CC[C@@]12C
InChIInChI=1S/C30H46O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,23+,26+,27+,28-,29-,30-/m1/s1
InChIKeyMFGKQCGZFKURGT-JBGSRZDXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Lucyin A (CHEBI:190323) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-9-ormyl-3,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
167155ChemSpider
Registry NumbersSources
CAS:152845-76-6ChemIDplus