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CHEBI:226218 - Alboatrin

ChEBI IDCHEBI:226218
ChEBI NameAlboatrin
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FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESCc1cc(O)cc2c1C[C@@H]1[C@H](C)CO[C@]1(C)O2
InChIInChI=1S/C14H18O3/c1-8-4-10(15)5-13-11(8)6-12-9(2)7-16-14(12,3)17-13/h4-5,9,12,15H,6-7H2,1-3H3/t9-,12-,14-/m1/s1
InChIKeyAYWHVIHSUTWUCM-GAJTVXKRSA-N
Species of MetaboliteComponentSourceComments
Verticillium albo-atrum (ncbitaxon:27335) - DOI (10.1246/cl.1988.27)
ChEBI Ontology
Outgoing Relation(s)
Alboatrin (CHEBI:226218) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,3aR,9aR)-3,5,9a-trimethyl-2,3,3a,4-tetrahydrouro[2,3-b]chromen-7-ol
Manual XrefsDatabases
9130706ChemSpider