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CHEBI:206798 - Botryosphaerin D

ChEBI IDCHEBI:206798
ChEBI NameBotryosphaerin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILESC=C1CC[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC(=O)O
InChIInChI=1S/C16H26O3/c1-11-5-6-13-15(2,10-17)7-4-8-16(13,3)12(11)9-14(18)19/h12-13,17H,1,4-10H2,2-3H3,(H,18,19)/t12-,13-,15+,16+/m0/s1
InChIKeyMWKMUMSWEZPDMP-WMHQRMGPSA-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 D (CHEBI:206798) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
2-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic acid
Manual XrefsDatabases
78441270ChemSpider