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Chemistry, part 2

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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 > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine 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 > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
organooxygen compound > ester > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
organooxygen compound > oxacycle > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
... > 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 > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > 7-epi-5-o-benzoyl-5-deacetylperitassine a

Preferred term

7-epi-5-o-benzoyl-5-deacetylperitassine a  

Type

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

Broader concept

charge

  • 0

formula

  • C43H49NO18

has_role

inchi

  • InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(60-38(51)27-14-11-10-12-15-27)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21-,29+,31-,32-,33+,34-,35+,36-,40-,41-,42-,43-/m0/s1

inchikey

  • DPTIBNOQWFLHCG-MTYDRNGTSA-N

mass

  • 867.84510

monoisotopicmass

  • 867.29496

smiles

  • [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69759

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