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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 > pleurocin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > pleurocin a
... > 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 > pleurocin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > pleurocin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > pleurocin a

Preferred term

pleurocin a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O4

inchi

  • InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-22-25(20,5)13-12-21-23-27(32-23)15-19(29)11-14-26(27,6)24(30)28(21,22)31/h7-8,16-23,29,31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22+,23-,25+,26+,27-,28+/m0/s1

inchikey

  • BHDMCKRBTNLIGX-RJLSYHOWSA-N

mass

  • 444.656

monoisotopicmass

  • 444.32396

smiles

  • O=C1[C@@]2(O)[C@@H]([C@H]3[C@@]4([C@@]1(CC[C@@H](C4)O)C)O3)CC[C@]5([C@H]2CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,4R,6S,9S,11S,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.02,4.04,9.012,16]octadecan-10-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218903

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