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CHEBI:204290 - Roseic acid

ChEBI IDCHEBI:204290
ChEBI NameRoseic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O5
Net Charge0
Average Mass482.661
Monoisotopic Mass482.30322
SMILESC/C(=C/C=C\[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3Cc4occ(C)c4[C@@H](CCC(=O)O)[C@]3(C)CC[C@]12C)C(=O)O
InChIInChI=1S/C30H42O5/c1-18(8-7-9-19(2)27(33)34)21-12-13-30(6)24-16-23-26(20(3)17-35-23)22(10-11-25(31)32)28(24,4)14-15-29(21,30)5/h7-9,17-18,21-22,24H,10-16H2,1-6H3,(H,31,32)(H,33,34)/b8-7-,19-9-/t18-,21-,22-,24-,28+,29-,30+/m1/s1
InChIKeyBYCQKBKQTQNKMP-UXDLQAIQSA-N
Species of MetaboliteComponentSourceComments
Russula aurora (ncbitaxon:2778750) - DOI (10.1002/ejoc.201402208)
ChEBI Ontology
Outgoing Relation(s)
Roseic acid (CHEBI:204290) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2Z,4Z,6R)-6-[(3R,3aR,5aR,6S,10aR,10bS)-6-(2-carboxyethyl)-3a,5a,7,10b-tetramethyl-1,2,3,4,5,6,10,10a-octahydroindeno[5,4-][1]benzouran-3-yl]-2-methylhepta-2,4-dienoic acid
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78437117ChemSpider