25 28  0  0  1  0  0  0  0  0999 V2000
   27.0549  -17.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.3091  -16.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0492  -18.6959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.0433  -15.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8767  -16.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4176  -17.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2508  -15.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2275  -19.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8767  -19.3783    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.3033  -18.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8533  -15.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6925  -17.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4176  -18.7076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.6075  -16.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4409  -14.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1483  -14.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6925  -18.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1766  -20.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6408  -20.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6192  -15.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4526  -13.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8093  -14.6241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.9876  -15.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7510  -13.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0433  -19.9443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  1     0  0
  1  5  1  0     0  0
  2  6  2  0     0  0
  2  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  4 11  2  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  6 14  1  0     0  0
  7 15  2  0     0  0
  7 16  1  0     0  0
  9 17  1  0     0  0
  9 18  1  0     0  0
  9 19  1  0     0  0
 14 20  2  0     0  0
 15 21  1  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  0     0  0
  8 13  1  0     0  0
 13 10  1  1     0  0
 12 17  1  0     0  0
 15 20  1  0     0  0
  3 25  1  6     0  0
M  END
> <ID>
CHEBI:3429

> <NAME>
Carnosol

> <STAR>
2

> <SYNONYM>
Carnosol

> <FORMULA>
C20H26O4; C20H26O4

> <MASS>
330.419

> <MONOISOTOPIC_MASS>
330.18311

> <CHARGE>
0

> <SMILES>
CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O

> <INCHI>
InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1

> <INCHIKEY>
XUSYGBPHQBWGAD-PJSUUKDQSA-N

> <CAS_REGISTRY_NUMBER>
5957-80-2

> <KEGG_COMPOUND_ACCESSION>
C09069

> <KNAPSACK_ACCESSION>
C00003410

> <LINCS_ACCESSION>
LSM-37166

$$$$