EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211084 - Botryomaman

ChEBI IDCHEBI:211084
ChEBI NameBotryomaman
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESCCCCCc1c(O)c(OC)cc2c1[C@H](/C=C/C(=O)O)[C@H](C)O2
InChIInChI=1S/C18H24O5/c1-4-5-6-7-13-17-12(8-9-16(19)20)11(2)23-14(17)10-15(22-3)18(13)21/h8-12,21H,4-7H2,1-3H3,(H,19,20)/b9-8+/t11-,12+/m0/s1
InChIKeyUBYLMNDNGLUBCF-VDTGWRSZSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - PubMed (17827773)
ChEBI Ontology
Outgoing Relation(s)
Botryomaman (CHEBI:211084) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(E)-3-[(2S,3S)-5-hydroxy-6-methoxy-2-methyl-4-pentyl-2,3-dihydro-1-benzouran-3-yl]prop-2-enoic acid
Manual XrefsDatabases
28284452ChemSpider