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CHEBI:197230 - Taprostene

ChEBI IDCHEBI:197230
ChEBI NameTaprostene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILES[H][C@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)C3CCCCC3)[C@@]1([H])C/C(=C/c1cccc(C(=O)O)c1)O2
InChIInChI=1S/C24H30O5/c25-21(16-6-2-1-3-7-16)10-9-19-20-13-18(29-23(20)14-22(19)26)12-15-5-4-8-17(11-15)24(27)28/h4-5,8-12,16,19-23,25-26H,1-3,6-7,13-14H2,(H,27,28)/b10-9+,18-12-/t19-,20-,21-,22-,23+/m1/s1
InChIKeyZLJOKYGJNOQXDP-OZUBPDBUSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Taprostene (CHEBI:197230) is a benzoic acids (CHEBI:22723)
IUPAC Name 
3-[(Z)-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-ylidene]methyl]benzoic acid
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