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CHEBI:208620 - Trichodermic acid A

ChEBI IDCHEBI:208620
ChEBI NameTrichodermic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
SMILESC/C(=C\C=C\[C@@H]1[C@H]2[C@H](C)[C@@H](O)[C@H](CO)C[C@@H]2C=C[C@@H]1C)C(=O)O
InChIInChI=1S/C19H28O4/c1-11-7-8-14-9-15(10-20)18(21)13(3)17(14)16(11)6-4-5-12(2)19(22)23/h4-8,11,13-18,20-21H,9-10H2,1-3H3,(H,22,23)/b6-4+,12-5+/t11-,13-,14-,15-,16-,17-,18+/m0/s1
InChIKeyHOZHXCYISCFSFQ-PFVFAAEOSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspeciesrale (ncbitaxon:63588) - DOI (10.1002/hlca.201100417)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Trichodermic acid A (CHEBI:208620) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E)-5-[(1S,2S,4aR,6S,7R,8S,8aS)-7-hydroxy-6-(hydroxymethyl)-2,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-methylpenta-2,4-dienoic acid
Manual XrefsDatabases
28289837ChemSpider