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Chemistry, part 2

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Concept information

organooxygen compound > ester > carboxylic ester > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
organooxygen compound > carbonyl compound > carboxylic ester > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
... > 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 > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > phorbol ester > rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione

Preferred term

rel-16-angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38O9

has_role

inchi

  • InChI=1S/C29H38O9/c1-8-15(4)25(34)37-13-26(7)22-20-21(31)18(12-30)11-27(35)19(9-16(5)23(27)32)29(20,36)17(6)10-28(22,26)38-24(33)14(2)3/h8-9,11,14,17,19-20,22,30,35-36H,10,12-13H2,1-7H3/b15-8-/t17-,19-,20+,22-,26-,27-,28+,29+/m1/s1

inchikey

  • YYLJXVKJJBZWBK-VFLXVHJUSA-N

mass

  • 530.60660

monoisotopicmass

  • 530.25158

smiles

  • [H][C@@]12C=C(C)C(=O)[C@@]1(O)C=C(CO)C(=O)[C@@]1([H])[C@]3([H])[C@@](C)(COC(=O)C(/C)=C/C)[C@@]3(C[C@@H](C)[C@]21O)OC(=O)C(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67863

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