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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > isomiroestrol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > isomiroestrol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > isomiroestrol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenols > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > isomiroestrol
organooxygen compound > carbonyl compound > ketone > cyclic ketone > isomiroestrol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > isomiroestrol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > tetrol > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > tetrol > isomiroestrol
organooxygen compound > ether > cyclic ether > isomiroestrol
organooxygen compound > oxacycle > cyclic ether > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > isomiroestrol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > isomiroestrol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > isomiroestrol

Preferred term

isomiroestrol  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H22O6

has_functional_parent

has_role

inchi

  • InChI=1S/C20H22O6/c1-19(2)10-6-20(25)7-11(22)14(13(10)17(20)23)15-16(19)9-4-3-8(21)5-12(9)26-18(15)24/h3-5,10,13,16-18,21,23-25H,6-7H2,1-2H3/t10-,13+,16+,17+,18+,20+/m0/s1

inchikey

  • QHHNPAAZNFEYEN-SVYRBVINSA-N

mass

  • 358.390

monoisotopicmass

  • 358.14164

smiles

  • [H][C@]12C[C@]3(O)CC(=O)C(=C4[C@H](O)OC5=CC(O)=CC=C5[C@@]4([H])C1(C)C)[C@]2([H])[C@H]3O

subset

  • 3_STAR

synonym EXACT

  • (1R,5R,10bR,12aR)-1,2,5,8-tetrahydroxy-11,11-dimethyl-2,3,10b,11,12,12a-hexahydro-1H-2,12-methanobenzo[b]naphtho[2,1-d]pyran-4(5H)-one

synonym RELATED

  • (+)-isomiroestrol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193573

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