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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > hemibrevetoxin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > hemibrevetoxin b
... > 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 > hemibrevetoxin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > hemibrevetoxin b

Preferred term

hemibrevetoxin b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H42O7

inchi

  • InChI=1S/C28H42O7/c1-5-6-7-8-9-24-27(3,31)12-10-21-22(33-24)11-13-28(4)25(34-21)16-23-26(35-28)20(30)15-19(32-23)14-18(2)17-29/h5-7,17,19-26,30-31H,1-2,8-16H2,3-4H3/b7-6-/t19-,20+,21-,22+,23-,24-,25+,26+,27+,28-/m1/s1

inchikey

  • HINDCSLBLBWIIV-HWFPZXRZSA-N

mass

  • 490.637

monoisotopicmass

  • 490.29305

smiles

  • O1[C@]2([C@@](O[C@]3([C@@](O[C@@H]([C@@](O)(CC3)C)CC/C=C/C=C)(CC2)[H])[H])(C[C@]4(O[C@@H](C[C@H](O)[C@]14[H])CC(C=O)=C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • 2-[[(1S,3R,6S,7R,9S,12R,14S,15S,17R,19R)-7-[(3Z)-hexa-3,5-dienyl]-6,15-dihydroxy-6,12-dimethyl-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icosan-17-yl]methyl]prop-2-enal

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176945

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