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CHEBI:68354 - poricoic acid C

ChEBI IDCHEBI:68354
ChEBI Nameporicoic acid C
Stars
DefinitionA tricyclic triterpenoid isolated from Poria cocos.
Last Modified13 January 2014
DownloadsMolfile
FormulaC31H46O4
Net Charge0
Average Mass482.705
Monoisotopic Mass482.33961
SMILES[H][C@]1([C@@H](CCC(=C)C(C)C)C(=O)O)CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@@]21C
InChIInChI=1S/C31H46O4/c1-19(2)21(5)9-10-22(28(34)35)24-13-17-31(8)26-12-11-23(20(3)4)29(6,16-15-27(32)33)25(26)14-18-30(24,31)7/h12,14,19,22-24H,3,5,9-11,13,15-18H2,1-2,4,6-8H3,(H,32,33)(H,34,35)/t22-,23+,24-,29+,30-,31+/m1/s1
InChIKeyQFVFCBZDUKVXLR-PKSIZLAPSA-N
Species of MetaboliteComponentSourceComments
Poria cocos (ncbitaxon:87299) sclerotium (BTO:0001810) PubMed (21250700)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
poricoic acid C (CHEBI:68354) has role fungal metabolite (CHEBI:76946)
poricoic acid C (CHEBI:68354) is a dicarboxylic acid (CHEBI:35692)
poricoic acid C (CHEBI:68354) is a tricyclic triterpenoid (CHEBI:52340)
IUPAC Name 
(2R)-2-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,6,7,8,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Registry NumbersSources
Reaxys:11195378Reaxys
Citations