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Chemistry, part 2

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > butenolide > ajuganipponin a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > ajuganipponin 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 > gamma-lactone > butenolide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > ajuganipponin a
... > organooxygen compound > ester > lactone > gamma-lactone > butenolide > ajuganipponin a
... > organooxygen compound > oxacycle > lactone > gamma-lactone > butenolide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > ajuganipponin 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 > gamma-lactone > butenolide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > ajuganipponin a
organooxygen compound > oxacycle > furans > butenolide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > ajuganipponin 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 > furans > butenolide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > ajuganipponin 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 > organic heteromonocyclic compound > furans > butenolide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > ajuganipponin a
organooxygen compound > ester > carboxylic ester > acetate ester > ajuganipponin a
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > ajuganipponin 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 > acetate ester > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > ajuganipponin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > ajuganipponin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > diterpene lactone > ajuganipponin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > diterpene lactone > ajuganipponin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene lactone > diterpene lactone > ajuganipponin 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 > diterpene lactone > ajuganipponin a
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > diterpene lactone > ajuganipponin a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > ajuganipponin 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 > diterpene lactone > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > ajuganipponin a
... > organooxygen compound > ester > lactone > terpene lactone > diterpene lactone > ajuganipponin a
... > organooxygen compound > oxacycle > lactone > terpene lactone > diterpene lactone > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > diterpene lactone > ajuganipponin 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 > diterpene lactone > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > diterpene lactone > ajuganipponin a
... > organooxygen compound > ether > cyclic ether > epoxide > spiro-epoxide > ajuganipponin a
... > organooxygen compound > oxacycle > cyclic ether > epoxide > spiro-epoxide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > spiro-epoxide > ajuganipponin 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 > cyclic ether > epoxide > spiro-epoxide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > spiro-epoxide > ajuganipponin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > oxaspiro compound > spiro-epoxide > ajuganipponin a

Preferred term

ajuganipponin a  

Type

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

Broader concept

charge

  • 0

formula

  • C31H42O11

has_role

inchi

  • InChI=1S/C31H42O11/c1-8-17(2)28(36)42-24(22-12-26(35)37-14-22)13-29(7)18(3)11-25(41-21(6)34)31(16-38-19(4)32)27(29)23(40-20(5)33)9-10-30(31)15-39-30/h8,12,18,23-25,27H,9-11,13-16H2,1-7H3/b17-8+/t18-,23-,24+,25+,27-,29+,30+,31-/m1/s1

inchikey

  • SJNMHXILDVKBPL-BEEMTZEWSA-N

mass

  • 590.65860

monoisotopicmass

  • 590.27271

smiles

  • C/C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(C)=O)C1=CC(=O)OC1

subset

  • 3_STAR

synonym EXACT

  • (1S)-2-{(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69879

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