Marvin  11191210322D          

 19 20  0  0  0  0            999 V2000
   10.3496   -8.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3484   -9.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636   -9.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7804   -9.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7775   -8.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0618   -7.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4911   -7.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2044   -8.2188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2030   -9.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9154   -9.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6320   -9.0442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6306   -8.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9168   -7.8005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4916   -9.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9120   -6.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3460   -7.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3475   -9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3474  -10.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0630   -9.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  9 14  2  0  0  0  0
  5  7  1  0  0  0  0
 13 15  1  0  0  0  0
  3  4  2  0  0  0  0
 12 16  2  0  0  0  0
  8  7  1  6  0  0  0
 11 17  1  1  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <ID>
CHEBI:65465

> <NAME>
bassiatin

> <DEFINITION>
A member of the class of morpholines that is morpholine-2,5-dione substituted by a benzyl, isopropyl and a methyl group at positions 3, 6 and 4 respectively. It is isolated from the culture broth of the fungus Beauveria bassiana and acts as a platelet aggregation inhibitor.

> <STAR>
3

> <SYNONYM>
Lateritin; (3S,6R)-4-methyl-6-(1-methylethyl)-3-phenylmethyl-1,4-perhydrooxazine-2,5-dione; (3S,6R)-4-methyl-6-(1-methylethyl)-3-(phenylmethyl)-2,5-morpholinedione; (3S,6R)-3-benzyl-6-isopropyl-4-methyl-2,5-morpholinedione

> <IUPAC_NAME>
(3S,6R)-3-benzyl-4-methyl-6-(propan-2-yl)morpholine-2,5-dione

> <FORMULA>
C15H19NO3

> <MASS>
261.31630

> <MONOISOTOPIC_MASS>
261.13649

> <CHARGE>
0

> <SMILES>
CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C1=O

> <INCHI>
InChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13+/m0/s1

> <INCHIKEY>
YOKBTBNVNCFOBF-QWHCGFSZSA-N

> <CAS_REGISTRY_NUMBER>
65454-13-9

> <REAXYS_REGISTRY_NUMBER>
7466012

> <CHEMIDPLUS>
65454-13-9

> <PUBMED_CITATION>
8557595

$$$$