Ketcher 08112213072D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:192824

> <NAME>
labd-13-en-8,15-diol

> <STAR>
2

> <FORMULA>
C20H36O2

> <MASS>
308.506

> <MONOISOTOPIC_MASS>
308.27153

> <CHARGE>
0

> <SMILES>
C1[C@@]2([C@@]([C@H]([C@](C1)(C)O)CC/C(=C(/CO)\[H])/C)(CCCC2(C)C)C)[H]

> <INCHI>
InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19-,20+/m0/s1

> <INCHIKEY>
LEOHDQKUMQKLMP-NUKBDRAPSA-N

$$$$