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CHEBI:214132 - Botryosphaerin C

ChEBI IDCHEBI:214132
ChEBI NameBotryosphaerin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILESC=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCO
InChIInChI=1S/C16H26O3/c1-11-5-6-13-15(2,12(11)7-10-17)8-4-9-16(13,3)14(18)19/h12-13,17H,1,4-10H2,2-3H3,(H,18,19)/t12-,13+,15+,16-/m0/s1
InChIKeyPWMRSBPOXWIARE-XNISGKROSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - DOI (10.1002/hlca.200800424)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerin C (CHEBI:214132) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
(1S,4aR,5S,8aR)-5-(2-hydroxyethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual XrefsDatabases
78441129ChemSpider