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CHEBI:222441 - Preaustinoid A6

ChEBI IDCHEBI:222441
ChEBI NamePreaustinoid A6
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O8
Net Charge0
Average Mass478.582
Monoisotopic Mass478.25667
SMILESC=C1[C@@]2(C)C[C@H]3[C@](C)(CCC(=O)O)[C@@H](C(C)(C)O)CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O
InChIInChI=1S/C26H38O8/c1-14-23(5)13-16-22(4,11-10-17(27)28)15(21(2,3)32)9-12-24(16,6)26(14,20(31)34-8)19(30)25(7,33)18(23)29/h15-16,32-33H,1,9-13H2,2-8H3,(H,27,28)/t15-,16+,22-,23-,24+,25+,26+/m1/s1
InChIKeyOXTAPHAXPXBFQM-RFMSQVAGSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SF-5497 (ncbitaxon:1855734) - PubMed (31019257)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Preaustinoid A6 (CHEBI:222441) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
3-[(1R,2S,5S,6S,7S,9R,11S)-11-hydroxy-5-(2-hydroxypropan-2-yl)-1-methoxycarbonyl-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxo-6-tricyclo[7.3.1.02,7]tridecanyl]propanoic acid
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