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CHEBI:205378 - Asperaculane A

ChEBI IDCHEBI:205378
ChEBI NameAsperaculane A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC/C(C(=O)O)=C1/CC[C@]2(C)[C@@H]1CC=C(CO)C[C@@H]2O
InChIInChI=1S/C15H22O4/c1-9(14(18)19)11-5-6-15(2)12(11)4-3-10(8-16)7-13(15)17/h3,12-13,16-17H,4-8H2,1-2H3,(H,18,19)/b11-9+/t12-,13+,15-/m1/s1
InChIKeyJDBMOJWYGWGAIH-DZBCAUDPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) - PubMed (25547729)
ChEBI Ontology
Outgoing Relation(s)
Asperaculane A (CHEBI:205378) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E)-2-[(3aR,4S,8aR)-4-hydroxy-6-(hydroxymethyl)-3a-methyl-2,3,4,5,8,8a-hexahydroazulen-1-ylidene]propanoic acid
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