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CHEBI:68356 - poricoic acid H

ChEBI IDCHEBI:68356
ChEBI Nameporicoic acid H
Stars
DefinitionA tricyclic triterpenoid isolated from Poria cocos.
Last Modified13 January 2014
DownloadsMolfile
FormulaC31H48O5
Net Charge0
Average Mass500.720
Monoisotopic Mass500.35017
SMILES[H][C@]1([C@@H](CCC(=C)C(C)C)C(=O)O)[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC3
InChIInChI=1S/C31H48O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h18,21-22,25,27,32H,3,5,9-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKeyGKXXWKRLARTIQL-SMFZDKLCSA-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 H (CHEBI:68356) has role fungal metabolite (CHEBI:76946)
poricoic acid H (CHEBI:68356) is a dicarboxylic acid (CHEBI:35692)
poricoic acid H (CHEBI:68356) is a secondary alcohol (CHEBI:35681)
poricoic acid H (CHEBI:68356) is a tricyclic triterpenoid (CHEBI:52340)
IUPAC Name 
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Registry NumbersSources
Reaxys:9175534Reaxys
Citations