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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 > organic hydroxy compound > alcohol > tertiary alcohol > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > ajugamarin a2 chlorohydrin
... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > butenolide > ajugamarin a2 chlorohydrin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > ajugamarin a2 chlorohydrin
... > organooxygen compound > ester > lactone > gamma-lactone > butenolide > ajugamarin a2 chlorohydrin
... > organooxygen compound > oxacycle > lactone > gamma-lactone > butenolide > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > ajugamarin a2 chlorohydrin
organooxygen compound > oxacycle > furans > butenolide > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > ajugamarin a2 chlorohydrin
organooxygen compound > ester > carboxylic ester > acetate ester > ajugamarin a2 chlorohydrin
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > diterpene lactone > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > diterpene lactone > ajugamarin a2 chlorohydrin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > ajugamarin a2 chlorohydrin
... > organooxygen compound > ester > lactone > terpene lactone > diterpene lactone > ajugamarin a2 chlorohydrin
... > organooxygen compound > oxacycle > lactone > terpene lactone > diterpene lactone > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > diterpene lactone > ajugamarin a2 chlorohydrin
... > 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 > ajugamarin a2 chlorohydrin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > diterpene lactone > ajugamarin a2 chlorohydrin

Preferred term

ajugamarin a2 chlorohydrin  

Type

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

Broader concept

charge

  • 0

formula

  • C31H43ClO11

has_functional_parent

has_role

inchi

  • InChI=1S/C31H43ClO11/c1-8-17(2)28(37)43-23-9-10-30(38,15-32)31(16-40-19(4)33)25(42-21(6)35)11-18(3)29(7,27(23)31)13-24(41-20(5)34)22-12-26(36)39-14-22/h8,12,18,23-25,27,38H,9-11,13-16H2,1-7H3/b17-8+/t18-,23-,24+,25+,27-,29+,30+,31-/m1/s1

inchikey

  • MQMQEPSKXRDQHX-BEEMTZEWSA-N

mass

  • 627.12000

monoisotopicmass

  • 626.24939

smiles

  • C/C=C(/C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • (1R,4R,4aR,5S,7R,8S,8aR)-5-(acetyloxy)-4a-[(acetyloxy)methyl]-8-[(2S)-2-(acetyloxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-4-(chloromethyl)-4-hydroxy-7,8-dimethyldecahydronaphthalen-1-yl (2E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69865

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