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CHEBI:202434 - Comnostin C

ChEBI IDCHEBI:202434
ChEBI NameComnostin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O5
Net Charge0
Average Mass442.596
Monoisotopic Mass442.27192
SMILESC[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@]3(C)C(=O)O)[C@]1(C)Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20?,21?,24+,25-,26-,27+/m1/s1
InChIKeyVEXFNNZBZUDQNY-DALJTSPUSA-N
Species of MetaboliteComponentSourceComments
Nostoc commune (ncbitaxon:1178) - PubMed (10757714)
ChEBI Ontology
Outgoing Relation(s)
Comnostin C (CHEBI:202434) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,3aR,6R,7R,9aS)-6-[(5-carboxy-2-hydroxyphenyl)methyl]-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid
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8156409ChemSpider