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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > trichagmalin f
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > trichagmalin f
... > 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 > methyl ester > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > trichagmalin f
... > 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 heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > trichagmalin f
organooxygen compound > oxacycle > furans > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > trichagmalin f
... > 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 heterocyclic compound > oxacycle > furans > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > trichagmalin f
... > 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 heterocyclic compound > organic heteromonocyclic compound > furans > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > trichagmalin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > trichagmalin f
... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > trichagmalin f
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > trichagmalin f
... > 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 > lactone > delta-lactone > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > trichagmalin f
organooxygen compound > ester > lactone > delta-lactone > trichagmalin f
organooxygen compound > oxacycle > lactone > delta-lactone > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > trichagmalin f
... > 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 heterocyclic compound > oxacycle > lactone > delta-lactone > trichagmalin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > trichagmalin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > limonoid > trichagmalin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > trichagmalin f

Preferred term

trichagmalin f  

Type

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

Broader concept

charge

  • 0

formula

  • C36H46O13

has_functional_parent

has_role

inchi

  • InChI=1S/C36H46O13/c1-9-17(2)27(39)49-29-33(6)16-35(43)34(7,20(33)14-21(37)45-8)19-10-12-32(5)23(22(19)25(38)36(29,35)44)24(47-30(41)31(3,4)42)28(40)48-26(32)18-11-13-46-15-18/h9,11,13,15,19-20,24-26,29,38,42-44H,10,12,14,16H2,1-8H3/b17-9+/t19-,20-,24+,25-,26-,29-,32+,33+,34+,35+,36+/m0/s1

inchikey

  • YFSKKCIGWFMKLS-KNIMGQHWSA-N

mass

  • 686.74260

monoisotopicmass

  • 686.29384

smiles

  • COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(=O)C(C)(C)O)C4=C1[C@H](O)[C@@]3(O)[C@H]2OC(=O)C(/C)=C/C)c1ccoc1

subset

  • 3_STAR

synonym EXACT

  • (1R,4R,5S,6R,6aR,8R,9S,9aS,9bS,11aR,12S)-1-(furan-3-yl)-5,6,6a-trihydroxy-4-[(2-hydroxy-2-methylpropanoyl)oxy]-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-3-oxo-1,3,4,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl (2E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68367

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