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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid acid > (2z,10z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > (2z,10z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > (2z,10z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > (2z,10z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > hydroxy seco-steroid > (2z,10z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > seco-steroid > hydroxy seco-steroid > (2z,10z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid

Preferred term

(2z,10z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H22O5

has_role

inchi

  • InChI=1S/C18H22O5/c1-18-9-8-10-11(13(18)4-7-16(18)21)2-5-14(19)12(10)3-6-15(20)17(22)23/h3,6,10-11,13,20H,2,4-5,7-9H2,1H3,(H,22,23)/b12-3-,15-6-/t10-,11+,13-,18-/m0/s1

inchikey

  • JRZZGZUMLBSRII-XPRWOFODSA-N

is_conjugate_acid_of

mass

  • 318.365

monoisotopicmass

  • 318.14672

smiles

  • C1[C@]2([C@]3([C@@](/C(/C(CC3)=O)=C/C=C(/O)/C(=O)O)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]

subset

  • 3_STAR

synonym EXACT

  • (2Z,4Z)-2-hydroxy-4-[(3aS,5aS,9aS,9bS)-3a-methyl-3,7-dioxododecahydro-6H-cyclopenta[a]naphthalen-6-ylidene]but-2-enoic acid

synonym RELATED

  • (2Z,10Z)-4,5-secoestra-2-10-diene-3-ol-5,17-dione-3-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138283

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