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CHEBI:211414 - Mabetaarinolin C

ChEBI IDCHEBI:211414
ChEBI NameMabetaarinolin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC=C1CC[C@H]2C[C@@H]1[C@]2(CO)C[C@H](O)/C=C(\C)C(=O)O
InChIInChI=1S/C15H22O4/c1-9-3-4-11-6-13(9)15(11,8-16)7-12(17)5-10(2)14(18)19/h5,11-13,16-17H,1,3-4,6-8H2,2H3,(H,18,19)/b10-5+/t11-,12+,13-,15-/m0/s1
InChIKeyWGXKIUPZJQCFIU-SZDLVHABSA-N
Species of MetaboliteComponentSourceComments
Massarina (ncbitaxon:45292) - PubMed (10096869)
ChEBI Ontology
Outgoing Relation(s)
Mabetaarinolin C (CHEBI:211414) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E,4S)-4-hydroxy-5-[(1S,5S,6S)-6-(hydroxymethyl)-2-methylidene-6-bicyclo[3.1.1]heptanyl]-2-methylpent-2-enoic acid
Manual XrefsDatabases
8787168ChemSpider