Marvin  07180812002D          

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  1  5  1  0  0  0  0
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  6  4  1  0  0  0  0
  6 25  1  1  0  0  0
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  8  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  9  4  1  0  0  0  0
 28  9  1  0  0  0  0
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 10  9  1  0  0  0  0
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 28 21  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
> <ID>
CHEBI:42471

> <NAME>
forskolin

> <DEFINITION>
A labdane diterpenoid isolated from the Indian Coleus plant.

> <STAR>
3

> <SYNONYM>
Forskolin; FORSKOLIN; Colforsin; Coleonolk; Coleonol; 7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one

> <IUPAC_NAME>
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate

> <INN>
colforsinum; colforsine; colforsina; colforsin

> <FORMULA>
C22H34O7

> <MASS>
410.50120

> <MONOISOTOPIC_MASS>
410.23045

> <CHARGE>
0

> <SMILES>
[H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C

> <INCHI>
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1

> <INCHIKEY>
OHCQJHSOBUTRHG-KGGHGJDLSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4300863

> <CAS_REGISTRY_NUMBER>
66575-29-9

> <REAXYS_REGISTRY_NUMBER>
4300863

> <CHEMIDPLUS>
66575-29-9

> <DRUGBANK_ACCESSION>
DB02587

> <KEGG_COMPOUND_ACCESSION>
C09076

> <KEGG_DRUG_ACCESSION>
D03584

> <KNAPSACK_ACCESSION>
C00003416

> <PDBECHEM_ACCESSION>
FOK

> <WIKIPEDIA_ACCESSION>
Forskolin

> <PUBMED_CITATION>
11816015; 12676767; 12836714; 14691682; 15135319; 15380183; 1547891; 15525467; 16644480; 17570033; 19831022; 7755573; 7875530; 7898427; 7929167; 8489512; 8985363; 9478958; 9828101

$$$$