Mrv0541 10091313162D          

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M  END
> <ID>
CHEBI:67827

> <NAME>
austocystin D

> <DEFINITION>
An  organic heteropentacyclic compound isolated from Aspergillus and Aspergillus ustus and has been shown to exhibit cytotoxic activity.

> <STAR>
3

> <IUPAC_NAME>
(3aR,12aR)-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one

> <FORMULA>
C22H20O8

> <MASS>
412.38940

> <MONOISOTOPIC_MASS>
412.11582

> <CHARGE>
0

> <SMILES>
CC(C)(O)CCc1ccc(O)c2c1oc1cc3O[C@H]4OC=C[C@@]4(O)c3c(O)c1c2=O

> <INCHI>
InChI=1S/C22H20O8/c1-21(2,26)6-5-10-3-4-11(23)14-17(24)15-12(29-19(10)14)9-13-16(18(15)25)22(27)7-8-28-20(22)30-13/h3-4,7-9,20,23,25-27H,5-6H2,1-2H3/t20-,22-/m1/s1

> <INCHIKEY>
VXTQFTUOAJRUDO-IFMALSPDSA-N

> <CAS_REGISTRY_NUMBER>
55256-53-6

> <REAXYS_REGISTRY_NUMBER>
5176992

> <CHEMIDPLUS>
55256-53-6

> <PUBMED_CITATION>
21348461; 23356844

$$$$