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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbonyl compound > aldehyde > rel-hopan-27-al-6beta,11alpha,22-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > triol > rel-hopan-27-al-6beta,11alpha,22-triol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > triol > rel-hopan-27-al-6beta,11alpha,22-triol
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > polyol > triol > rel-hopan-27-al-6beta,11alpha,22-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > pentacyclic triterpenoid > rel-hopan-27-al-6beta,11alpha,22-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > pentacyclic triterpenoid > rel-hopan-27-al-6beta,11alpha,22-triol

Preferred term

rel-hopan-27-al-6beta,11alpha,22-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O4

has_role

inchi

  • InChI=1S/C30H50O4/c1-25(2)11-8-12-28(6)23(25)21(33)16-29(7)24(28)20(32)15-22-27(5)13-9-18(26(3,4)34)19(27)10-14-30(22,29)17-31/h17-24,32-34H,8-16H2,1-7H3/t18-,19-,20+,21+,22+,23-,24+,27-,28-,29+,30-/m0/s1

inchikey

  • HNKBWPYYJWLMQY-ZEZQLZSKSA-N

mass

  • 474.71560

monoisotopicmass

  • 474.37091

smiles

  • CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C=O)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)C[C@@]12C

subset

  • 3_STAR

synonym EXACT

  • (6beta,11alpha)-6,11,22-trihydroxyhopan-27-al

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67963

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