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Chemistry, part 2

Content language

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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 > isoprenoid > terpenoid > terpene alkaloid > daphniphylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene alkaloid > daphniphylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > terpene alkaloid > daphniphylline

Preferred term

daphniphylline  

Type

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

Broader concept

charge

  • 0

formula

  • C32H49NO5

inchi

  • InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,28-,29+,30-,31-,32+/m1/s1

inchikey

  • LFLWRPZTBUUBEQ-ZRJLWMKBSA-N

mass

  • 527.746

monoisotopicmass

  • 527.36107

smiles

  • O([C@@H](C[C@]12[C@]3([C@@]4(N5[C@]1([C@H](CC[C@]2([C@@](C5)(CC4)[H])C)C(C)C)[H])CCC3)[H])C(=O)[C@]6([C@]7(O[C@@](OC6)(CC7)C)[H])C)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(2S)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]-1-oxopropan-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169154

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