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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > aphagranol a
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > aphagranol a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > aphagranol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > aphagranol a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > aphagranol a

Preferred term

aphagranol a  

Type

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

Broader concept

charge

  • 0

formula

  • C32H40O11

inchi

  • InChI=1S/C32H40O11/c1-7-14(2)23(36)28(38)42-26-24-22(15(3)32(39)19(35)10-17(31(26,32)6)16-8-9-40-12-16)30(5)20(41-24)11-18(34)21-25(30)29(4,13-33)43-27(21)37/h8-9,12,14,17,20-26,33,36,39H,3,7,10-11,13H2,1-2,4-6H3/t14-,17+,20+,21-,22-,23-,24-,25+,26+,29-,30-,31-,32-/m1/s1

inchikey

  • PBAPKLJHNDYSMT-FWNGPFSFSA-N

mass

  • 600.661

monoisotopicmass

  • 600.25706

smiles

  • O1[C@@]2([C@]([C@@]3([C@]4([C@@](C(=O)C[C@]13[H])(C(O[C@@]4(CO)C)=O)[H])[H])C)(C([C@]5(O)[C@@]([C@H]2OC(=O)[C@H](O)[C@@H](CC)C)([C@@H](CC5=O)C=6C=COC6)C)=C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,3R,4S,7S,10S,12R,13R,14R,15S,18S)-15-(uran-3-yl)-18-hydroxy-4-(hydroxymethyl)-2,4,14-trimethyl-19-methylidene-6,8,17-trioxo-5,11-dioxapentacyclo[10.7.0.02,10.03,7.014,18]nonadecan-13-yl] (2R,3R)-2-hydroxy-3-methylpentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188629

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