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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 > simplexin

Preferred term

simplexin  

Type

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

Broader concept

alt_id

  • CHEBI:9148

charge

  • 0

formula

  • C30H44O8

has_role

inchi

  • InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28?,29-,30+/m1/s1

inchikey

  • JAQJQYMDHBSCKO-ARLDKPGKSA-N

mass

  • 532.66560

monoisotopicmass

  • 532.30362

smiles

  • [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(CCCCCCCCC)O[C@H]([C@]21[H])[C@](C[C@H]3C)(O4)C(C)=C

subset

  • 2_STAR

synonym EXACT

  • Simplexin

synonym RELATED

  • daphnopsis factor R3
  • pimelea factor P1
  • wikstrotoxin D

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70548

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