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CHEBI:201737 - Bisabosqual D

ChEBI IDCHEBI:201737
ChEBI NameBisabosqual D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCC(C)(O)[C@H](O)CC[C@]1(C)Oc2cc(C=O)c(C=O)c3c2[C@H]2[C@@H](O3)[C@@](C)(O)CC[C@H]21
InChIInChI=1S/C23H30O7/c1-21(2,27)16(26)6-8-23(4)14-5-7-22(3,28)20-17(14)18-15(30-23)9-12(10-24)13(11-25)19(18)29-20/h9-11,14,16-17,20,26-28H,5-8H2,1-4H3/t14-,16-,17+,20-,22+,23+/m1/s1
InChIKeyDWPUMDIAHUOAEN-PLOOWVJUSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (11827030)
ChEBI Ontology
Outgoing Relation(s)
Bisabosqual D (CHEBI:201737) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(7S,8R,11S,12R,13S)-7-[(3R)-3,4-dihydroxy-4-methylpentyl]-11-hydroxy-7,11-dimethyl-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2,3-dicarbaldehyde
Manual XrefsDatabases
8246185ChemSpider