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Chemistry, part 2

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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 > ergostanoid > (3beta,5alpha,9alpha,22e,24r)-3,5,9-trihydroxy-23-methylergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (3beta,5alpha,9alpha,22e,24r)-3,5,9-trihydroxy-23-methylergosta-7,22-dien-6-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 > ergostanoid > (3beta,5alpha,9alpha,22e,24r)-3,5,9-trihydroxy-23-methylergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (3beta,5alpha,9alpha,22e,24r)-3,5,9-trihydroxy-23-methylergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > (3beta,5alpha,9alpha,22e,24r)-3,5,9-trihydroxy-23-methylergosta-7,22-dien-6-one

Preferred term

(3beta,5alpha,9alpha,22e,24r)-3,5,9-trihydroxy-23-methylergosta-7,22-dien-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C29H46O4

inchi

  • InChI=1S/C29H46O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,30,32-33H,8-13,16H2,1-7H3/b18-14+

inchikey

  • MRERMGPPCLQIPD-NBVRZTHBSA-N

mass

  • 458.683

monoisotopicmass

  • 458.33961

smiles

  • OC12C3(C(O)(CC(O)CC3)C(=O)C=C2C4C(C(CC4)C(C)/C=C(/C(C(C)C)C)/C)(CC1)C)C

subset

  • 2_STAR

synonym EXACT

  • 3,5,9-trihydroxy-10,13-dimethyl-17-[(E)-4,5,6-trimethylhept-3-en-2-yl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168198

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