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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 > monoterpenoid > 6alpha,7alpha-epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2e,4e)-tetradeca-2,4-dienoyl-1-tiglien-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > 6alpha,7alpha-epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2e,4e)-tetradeca-2,4-dienoyl-1-tiglien-3-one

Preferred term

6alpha,7alpha-epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2e,4e)-tetradeca-2,4-dienoyl-1-tiglien-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C34H50O8

has_role

inchi

  • InChI=1S/C34H50O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(36)41-32-19-22(3)33(39)23-18-21(2)27(37)34(23,40)29(38)31(20-35)28(42-31)25(33)26(32)30(32,4)5/h14-18,22-23,25-26,28-29,35,38-40H,6-13,19-20H2,1-5H3/b15-14-,17-16+/t22-,23+,25-,26-,28+,29-,31+,32+,33+,34-/m1/s1

inchikey

  • BRIOQTDLFXBKFB-WETQLOSTSA-N

mass

  • 586.75600

monoisotopicmass

  • 586.35057

smiles

  • [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)/C=C/C=C/CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C

subset

  • 2_STAR

synonym RELATED

  • Pimelea simplex subtoxin B

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70539

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