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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 > diterpenoid > trigonosin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > trigonosin d

Preferred term

trigonosin d  

Type

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

Broader concept

charge

  • 0

formula

  • C33H42O12

has_role

inchi

  • InChI=1S/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33+/m0/s1

inchikey

  • LZUPONYGHMLQEQ-KPHPJPRYSA-N

mass

  • 630.67940

monoisotopicmass

  • 630.26763

smiles

  • [H][C@@]12C[C@H](C)[C@H](O)[C@]11O[C@](C)([C@H]1O)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](OC(C)=O)[C@@H](C)[C@]21O)C(C)=C

subset

  • 2_STAR

synonym RELATED

  • (1R,2S,3S,5S,6R,7R,8S,9S,10R,11S,12S,13R,15R)-8,10,12-Triacetoxy-2,6,15-trihydroxy-9-isopropenyl-3,7,13-trimethyl-14-oxatetracyclo[11.1.1.0[1,5].0[6,11]]pentadec-9-yl benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67782

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