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CHEBI:203989 - Virgatolide B

ChEBI IDCHEBI:203989
ChEBI NameVirgatolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILESC[C@H](O)[C@H]1OC(=O)c2c1cc1c(c2O)C[C@H](C)[C@@]2(C[C@H](O)C[C@H](C)O2)O1
InChIInChI=1S/C19H24O7/c1-8-4-12-14(26-19(8)7-11(21)5-9(2)25-19)6-13-15(16(12)22)18(23)24-17(13)10(3)20/h6,8-11,17,20-22H,4-5,7H2,1-3H3/t8-,9-,10-,11+,17+,19+/m0/s1
InChIKeyFZIVPEMPRYZJDQ-LPMIWMRZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis virgatula (ncbitaxon:290289) - PubMed (21495643)
ChEBI Ontology
Outgoing Relation(s)
Virgatolide B (CHEBI:203989) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3S,4'R,6'S,8S)-4',5-dihydroxy-8-[(1S)-1-hydroxyethyl]-3,6'-dimethylspiro[4,8-dihydro-3H-uro[3,4-g]chromene-2,2'-oxane]-6-one
Manual XrefsDatabases
30987188ChemSpider