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CHEBI:190336 - Camelliagenin B

Default Structure
ChEBI IDCHEBI:190336
ChEBI NameCamelliagenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)C[C@H](O)[C@]4(CO)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C=O
InChIInChI=1S/C30H48O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,16,19-24,32-35H,8-15,17H2,1-6H3/t19-,20+,21+,22-,23-,24+,26-,27-,28+,29+,30+/m0/s1
InChIKeyRJEBVLDZINEMCO-CUCCWGAISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Camelliagenin B (CHEBI:190336) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-3,8,9-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde
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