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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > ciguatoxin abcde ring fragment
... > 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 heteropolycyclic compound > organic heteropentacyclic compound > ciguatoxin abcde ring fragment
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > ciguatoxin abcde ring fragment
organooxygen compound > ether > cyclic ether > polycyclic ether > ciguatoxin abcde ring fragment
organooxygen compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin abcde ring fragment
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin abcde ring fragment
... > 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 > polycyclic ether > ciguatoxin abcde ring fragment
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin abcde ring fragment
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin abcde ring fragment
... > 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 heteropolycyclic compound > polycyclic ether > ciguatoxin abcde ring fragment
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin abcde ring fragment

Preferred term

ciguatoxin abcde ring fragment  

Type

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

Broader concept

charge

  • 0

formula

  • C27H36O9

has_role

inchi

  • InChI=1S/C27H36O9/c1-2-4-18-17(30)9-10-19-20(33-18)11-12-21-23(34-19)13-24-27(36-21)25(31)26-22(35-24)6-3-5-16(32-26)8-7-15(29)14-28/h2-3,5,7-12,15-31H,1,4,6,13-14H2/b8-7+/t15-,16+,17-,18+,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1

inchikey

  • RXQHGRDQAGUJLF-NISFGDLFSA-N

mass

  • 504.56930

monoisotopicmass

  • 504.23593

smiles

  • [H][C@]1(O)C=C[C@@]2([H])O[C@@]3([H])C[C@@]4([H])O[C@@]5([H])CC=C[C@@]([H])(O[C@]5([H])[C@@H](O)[C@]4([H])O[C@]3([H])C=C[C@]2([H])O[C@]1([H])CC=C)/C=C/[C@H](O)CO

subset

  • 3_STAR

synonym EXACT

  • (2R,3S,5aR,6aS,7aR,8aS,12R,13aR,14R,14aS,15aR,17aS)-12-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-2-(prop-2-en-1-yl)-2,3,5a,6a,7,7a,8a,9,12,13a,14,14a,15a,17a-tetradecahydrooxepino[3,2-b]oxepino[2'',3'':5',6']pyrano[2',3':5,6]pyrano[2,3-f]oxepine-3,14-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70748

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