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CHEBI:68355 - poricoic acid G

ChEBI IDCHEBI:68355
ChEBI Nameporicoic acid G
Stars
DefinitionA tricyclic triterpenoid isolated from Poria cocos.
Last Modified13 January 2014
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILES[H][C@]1([C@@H](CCC=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/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1
InChIKeyVPTZOSBKEDUOFE-KXGBKNTBSA-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 G (CHEBI:68355) has role fungal metabolite (CHEBI:76946)
poricoic acid G (CHEBI:68355) is a dicarboxylic acid (CHEBI:35692)
poricoic acid G (CHEBI:68355) is a secondary alcohol (CHEBI:35681)
poricoic acid G (CHEBI:68355) 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-methylhept-5-enoic acid
Synonym  Source
16α-hydroxy-3,4-seco-lanosta-4(28),8,24-triene-3,21-dioic acidChEBI
Registry NumbersSources
Reaxys:9174362Reaxys
Citations