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CHEBI:212510 - Enhygromic acid

ChEBI IDCHEBI:212510
ChEBI NameEnhygromic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESC=C1CC[C@@H]2[C@H](C)CC[C@H]3C(C)(C)C[C@H]1[C@]23/C=C(\C)C(=O)O
InChIInChI=1S/C20H30O2/c1-12-7-9-17-19(4,5)11-16-13(2)6-8-15(12)20(16,17)10-14(3)18(21)22/h10,12,15-17H,2,6-9,11H2,1,3-5H3,(H,21,22)/b14-10+/t12-,15-,16-,17+,20+/m1/s1
InChIKeyFPWHFMZLJGVPHS-KOBPUZOOSA-N
Species of MetaboliteComponentSourceComments
Enhygromyxaspecies (ncbitaxon:2666105) - PubMed (28383484)
ChEBI Ontology
Outgoing Relation(s)
Enhygromic acid (CHEBI:212510) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E)-3-[(3aS,5R,5aR,8aR,8bS)-2,2,5-trimethyl-8-methylidene-3,3a,4,5,5a,6,7,8a-octahydro-1H-acenaphthylen-8b-yl]-2-methylprop-2-enoic acid
Manual XrefsDatabases
61708482ChemSpider