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CHEBI:205647 - Botryosphaerin E

ChEBI IDCHEBI:205647
ChEBI NameBotryosphaerin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESC=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCC(C)(O)CC(=O)O
InChIInChI=1S/C20H32O5/c1-13-6-7-15-19(3,9-5-10-20(15,4)17(23)24)14(13)8-11-18(2,25)12-16(21)22/h14-15,25H,1,5-12H2,2-4H3,(H,21,22)(H,23,24)/t14-,15+,18?,19+,20-/m0/s1
InChIKeyLCXMQGJXOTYBJT-AAOSLUBHSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - DOI (10.1002/hlca.200800424)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerin E (CHEBI:205647) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,4aR,5S,8aR)-5-(4-carboxy-3-hydroxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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78441261ChemSpider