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Chemistry, part 2

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Concept information

organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > 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 > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > catechols > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > 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 > benzenediols > catechols > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > seco-steroid > seco-androstane > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > seco-androstane > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > 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 polycyclic compound > steroid > seco-steroid > seco-androstane > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > seco-androstane > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > seco-steroid > seco-androstane > 3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one

Preferred term

3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one  

Type

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

Broader concept

charge

  • 0

formula

  • C19H26O4

has_role

inchi

  • InChI=1S/C19H26O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,17,21-23H,4-6,8-10H2,1-2H3/t13?,14-,17?,19-/m0/s1

inchikey

  • XRMKFJVUFYGENU-AYSYYIBYSA-N

mass

  • 318.40730

monoisotopicmass

  • 318.18311

smiles

  • Cc1ccc(O)c(O)c1CCC1[C@@H]2CCC(O)[C@@]2(C)CCC1=O

subset

  • 3_STAR

synonym EXACT

  • (8xi)-3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-trien-9-one

synonym RELATED

  • 3,4,17-THSA
  • 3,4,17-trihydroxy-9,10-secoandrost-1,3,5(10)-triene-9-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85576

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