Ketcher 01091812132D 1   1.00000     0.00000     0

 24 26  0     1  0            999 V2000
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    9.9451   -3.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1039   -5.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874   -5.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2287   -4.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874   -6.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5121   -6.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1039   -3.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1039   -6.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2287   -3.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2287   -6.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6369   -6.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369   -5.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874   -4.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874   -7.1147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6948   -3.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1126   -2.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9782   -6.6707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0170   -7.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0072   -7.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3543   -3.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  7  2  1  0     0  0
  9  2  1  0     0  0
  5  3  2  0     0  0
 10  3  1  0     0  0
  5  4  1  0     0  0
 12  4  1  0     0  0
  4 17  1  1     0  0
  6  4  1  0     0  0
 11  5  1  0     0  0
 13  6  1  0     0  0
  8  6  1  0     0  0
  6 18  1  6     0  0
 14  7  1  0     0  0
 15  8  1  0     0  0
 11  9  2  0     0  0
 13 10  1  0     0  0
 16 12  1  0     0  0
 16 15  1  0     0  0
  7 19  1  0     0  0
  9 20  1  0     0  0
 10 21  2  0     0  0
 22  8  1  0     0  0
 23  8  1  0     0  0
 11 24  1  0     0  0
M  END
> <ID>
CHEBI:138962

> <NAME>
11-hydroxysugiol

> <DEFINITION>
An abietane diterpenoid that is sugiol in which the hydrogen ortho to the phenolic hydroxy group has been replaced by a hydroxy group.

> <STAR>
3

> <SYNONYM>
12-O-demethylcryptojaponol; 12-O-demethylcryptojapanol; 11-hydroxysugiol; (4aS,10aS)-2,3,4,4a,10,10a-hexahydro-5,6-dihydroxy-1,1,4a-trimethyl-7-(1-methylethyl)phenanthren-9(1H)-one

> <IUPAC_NAME>
11,12-dihydroxyabieta-8,11,13-trien-7-one

> <FORMULA>
C20H28O3

> <MASS>
316.435

> <MONOISOTOPIC_MASS>
316.20384

> <CHARGE>
0

> <SMILES>
C1=C(C(C)C)C(=C(C2=C1C(C[C@@]3([C@@]2(CCCC3(C)C)C)[H])=O)O)O

> <INCHI>
InChI=1S/C20H28O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1

> <INCHIKEY>
GDLRDIDXYBIPFY-YWZLYKJASA-N

> <REAXYS_REGISTRY_NUMBER>
2060230

> <METACYC_ACCESSION>
CPD-20269

> <PUBMED_CITATION>
25900047; 26682704

$$$$