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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > furofuran > avertoxin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furofuran > avertoxin c
... > 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 > furofuran > avertoxin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furofuran > avertoxin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furofuran > avertoxin c
... > 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 heterobicyclic compound > furofuran > avertoxin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furofuran > avertoxin c

Preferred term

avertoxin c  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34O9

inchi

  • InChI=1S/C27H34O9/c1-16(24(30)32-6)13-14-33-21-15-22(28)35-19(17(21)2)11-9-7-8-10-12-20-23(29)26(4)25(36-20)34-18(3)27(26,5)31/h7-13,15,18,20,23,25,29,31H,14H2,1-6H3/b8-7+,11-9+,12-10+,16-13+/t18-,20-,23+,25-,26+,27+/m1/s1

inchikey

  • VYFFJGIOFZRTHR-JXOAWMPUSA-N

mass

  • 502.560

monoisotopicmass

  • 502.22028

smiles

  • O=C1OC(=C(C)C(=C1)OC/C=C(/C(=O)OC)/C)/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](C)[C@@]([C@]3([C@H]2O)C)(O)C

subset

  • 2_STAR

synonym EXACT

  • methyl (E)-4-[2-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]hexa-1,3,5-trienyl]-3-methyl-6-oxopyran-4-yl]oxy-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207321

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