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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > steroid ester > xylariacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > xylariacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > xylariacin b
... > 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 > steroid ester > xylariacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > xylariacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > xylariacin b

Preferred term

xylariacin b  

Type

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

Broader concept

charge

  • 0

formula

  • C29H48O6

inchi

  • InChI=1S/C29H48O6/c1-15(2)13-22(32)35-23-24(33)26(4,5)20-10-9-18-17(28(20,7)25(23)34)11-12-27(6)19(16(3)30)14-21(31)29(18,27)8/h15-16,19-21,23-25,30-31,33-34H,9-14H2,1-8H3/t16-,19+,20-,21+,23-,24-,25+,27+,28+,29+/m0/s1

inchikey

  • NAWICOZJQOPHPP-WVMLSCPJSA-N

mass

  • 492.697

monoisotopicmass

  • 492.34509

smiles

  • O=C(O[C@@H]1[C@@H](O)[C@@]2(C3=C([C@]4([C@]([C@@H]([C@@H](O)C)C[C@H]4O)(C)CC3)C)CC[C@H]2C([C@H]1O)(C)C)C)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,3R,5S,10S,13R,14R,15R,17S)-1,3,15-trihydroxy-17-[(1S)-1-hydroxyethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203616

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