Mrv0541 12181309522D          

 22 24  0  0  0  0            999 V2000
   10.4479  -13.0495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9167  -13.0121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1906  -13.3689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1988  -12.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013  -13.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951  -12.2362    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8835  -12.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2321  -12.2279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7300  -13.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7383  -11.5764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5598  -11.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3815  -12.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0038  -13.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6760  -14.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744  -12.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6802  -14.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2113  -14.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4437  -13.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3773  -10.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3067  -11.4353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470  -11.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9084  -13.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
  3 17  1  6  0  0  0
  1 18  1  1  0  0  0
 10 19  1  6  0  0  0
  6 20  1  1  0  0  0
  8 21  1  6  0  0  0
  2 22  1  6  0  0  0
 15 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7  4  1  0  0  0  0
M  END
> <ID>
CHEBI:69339

> <NAME>
carpesiolin

> <DEFINITION>
A sesquiterpene lactonethat is 2,3-dihydroaromaticin substituted by an α-hydroxy group at position 6. It has been isolated from the aerial parts of Inula hupehensis.

> <STAR>
3

> <SYNONYM>
6alpha-hydroxy-2,3-dihydroaromaticin; 4-oxo-6-hydroxypseudoguai-11(13)-en-8,12-olide

> <IUPAC_NAME>
(3aS,4S,4aR,7aS,8R,9aS)-4-hydroxy-4a,8-dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione

> <FORMULA>
C15H20O4

> <MASS>
264.31690

> <MONOISOTOPIC_MASS>
264.13616

> <CHARGE>
0

> <SMILES>
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1CCC2=O

> <INCHI>
InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h7,9-10,12-13,17H,2,4-6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1

> <INCHIKEY>
IOUNDPHKKPZPKB-GSNHZRAGSA-N

> <REAXYS_REGISTRY_NUMBER>
6571345

> <PUBMED_CITATION>
21894898

$$$$